2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine

C151H203Cl4F8N25 — CID 158053296

IUPAC2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(Cl)n1.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2ccccc12.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/2C12H14N2.C11H16.C10H11ClF3N.C10H12F3N.C10H12N2.C10H15N.C9H12FN.2C9H14N2.C9H13N.3C8H11ClN2.C8H11FN2.C8H12N2/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7/h2*4-8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;4*4-5H,1-3H3;4-6H,1-3H3
InChIKeyFJSXZLUHSZWWJJ-UHFFFAOYSA-N
MW2662.26 g/mol
LogP41.57
Rot. Bonds

About 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine

2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine (PubChem CID 158053296) has the molecular formula C151H203Cl4F8N25 and a molecular weight of 2662.26 g/mol. Its IUPAC name is 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine
PubChem CID158053296
Molecular FormulaC151H203Cl4F8N25
Molecular Weight2662.26 g/mol
Exact Mass2658.53
IUPAC Name2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(Cl)n1.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2ccccc12.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1
InChIInChI=1S/2C12H14N2.C11H16.C10H11ClF3N.C10H12F3N.C10H12N2.C10H15N.C9H12FN.2C9H14N2.C9H13N.3C8H11ClN2.C8H11FN2.C8H12N2/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7/h2*4-8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;4*4-5H,1-3H3;4-6H,1-3H3
InChIKeyFJSXZLUHSZWWJJ-UHFFFAOYSA-N
XLogP41.57
TPSA333.15 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002662.26
LogP ≤ 541.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N-bis[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrimidine-2,4-diamine
CID 68260945
2-(5-Chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-pyridinyl]-1,8-naphthyridine
CID 68264648
6-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-2-carbonitrile
CID 68264754
2-(5-Chloro-2-fluorophenyl)-4-[5-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-3-pyridinyl]-1,8-naphthyridine
CID 68264955
2-(5-chloro-2-fluorophenyl)-N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]-N-pyrimidin-4-ylquinolin-4-amine
CID 70660171
2-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile
CID 71007835
4-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180949
4-[4-(3-Chloro-4-fluoroanilino)-8-methyl-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180987
N-(3-chloro-4-fluorophenyl)-7-(6-methyl-3-pyridinyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274008
2-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
CID 71274237
4-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
CID 71274243
3-[4-(3-Chloro-4-fluoroanilino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
CID 71274254

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine (CID 158053296) is 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine is CC(C)(C)c1cc(C(F)(F)F)cc(Cl)n1.CC(C)(C)c1cc(Cl)ncn1.CC(C)(C)c1ccc(C(F)(F)F)cn1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ncc(F)cn1.CC(C)(C)c1ncc2ccccc2n1.CC(C)(C)c1nccc(Cl)n1.CC(C)(C)c1ncccc1C#N.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncccn1.CC(C)(C)c1ncnc2ccccc12.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.Cc1cnc(C(C)(C)C)nc1.
What is the InChIKey of 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine?
The InChIKey is FJSXZLUHSZWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14N2.C11H16.C10H11ClF3N.C10H12F3N.C10H12N2.C10H15N.C9H12FN.2C9H14N2.C9H13N.3C8H11ClN2.C8H11FN2.C8H12N2/c1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-13-8-9-6-4-5-7-10(9)14-11;1-9-5-7-10(8-6-9)11(2,3)4;1-9(2,3)7-4-6(10(12,13)14)5-8(11)15-7;1-9(2,3)8-5-4-7(6-14-8)10(11,12)13;1-10(2,3)9-8(7-11)5-4-6-12-9;1-8-5-6-9(11-7-8)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;2*1-7-5-10-8(11-6-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)6-4-7(9)11-5-10-6;1-8(2,3)7-10-5-4-6(9)11-7;1-8(2,3)6-4-5-10-7(9)11-6;1-8(2,3)7-10-4-6(9)5-11-7;1-8(2,3)7-9-5-4-6-10-7/h2*4-8H,1-3H3;5-8H,1-4H3;4-5H,1-3H3;4-6H,1-3H3;4-6H,1-3H3;5-7H,1-4H3;4-6H,1-3H3;2*5-6H,1-4H3;4-7H,1-3H3;4*4-5H,1-3H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine?
2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine has a molecular weight of 2662.26 g/mol, XLogP of 41.57, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloropyrimidine;4-tert-butyl-2-chloropyrimidine;4-tert-butyl-6-chloropyrimidine;2-tert-butyl-6-chloro-4-(trifluoromethyl)pyridine;2-tert-butyl-3-fluoropyridine;2-tert-butyl-5-fluoropyrimidine;1-tert-butyl-4-methylbenzene;2-tert-butyl-5-methylpyridine;bis(2-tert-butyl-5-methylpyrimidine);2-tert-butylpyridine;2-tert-butylpyridine-3-carbonitrile;2-tert-butylpyrimidine;2-tert-butylquinazoline;4-tert-butylquinazoline;2-tert-butyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 158053296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).