2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine

C52H80N10S — CID 158266232

IUPAC2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ncccn1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1csc(C(C)(C)C)n1.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/3C9H14N2.C9H13N.C8H12N2.C8H13NS/c1-7-5-10-8(11-6-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4/h3*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3
InChIKeyGILWYTRWAZRQPL-UHFFFAOYSA-N
MW877.35 g/mol
LogP13.15
Rot. Bonds

About 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine

2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine (PubChem CID 158266232) has the molecular formula C52H80N10S and a molecular weight of 877.35 g/mol. Its IUPAC name is 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine
PubChem CID158266232
Molecular FormulaC52H80N10S
Molecular Weight877.35 g/mol
Exact Mass876.63
IUPAC Name2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine
SMILESCC(C)(C)c1ccccn1.CC(C)(C)c1ncccn1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1csc(C(C)(C)C)n1.Cc1nccc(C(C)(C)C)n1
InChIInChI=1S/3C9H14N2.C9H13N.C8H12N2.C8H13NS/c1-7-5-10-8(11-6-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4/h3*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3
InChIKeyGILWYTRWAZRQPL-UHFFFAOYSA-N
XLogP13.15
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500877.35
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
4-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-(phenylsulfonyl)-2-(4-pyridinyl)pyrimidine
CID 1477687
N,N-dimethyl-2-[4-[2-pyridin-2-yl-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanamine
CID 127041886
4-Pyridin-4-yl-2-pyrimidin-2-yl-1,3-thiazole
CID 145967693
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methylpyrimidin-4-yl)pyrimidin-2-amine
CID 155513140
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 155518294
N-(4-ethyl-5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155521054
N-(2,6-dimethyl-4-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155536419
N-(5-fluoro-6-methyl-2-pyridinyl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 155562337
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 155568798
5-[5-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 164625616
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355933

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine?
The IUPAC name of 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine (CID 158266232) is 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine is CC(C)(C)c1ccccn1.CC(C)(C)c1ncccn1.Cc1ccnc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)nc1.Cc1csc(C(C)(C)C)n1.Cc1nccc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine?
The InChIKey is GILWYTRWAZRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H14N2.C9H13N.C8H12N2.C8H13NS/c1-7-5-10-8(11-6-7)9(2,3)4;1-7-10-6-5-8(11-7)9(2,3)4;1-7-5-6-10-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-6-5-10-7(9-6)8(2,3)4/h3*5-6H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;5H,1-4H3.
What are the key properties of 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine?
2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine has a molecular weight of 877.35 g/mol, XLogP of 13.15, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methylpyrimidine;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;2-tert-butylpyridine;2-tert-butylpyrimidine is sourced from PubChem (CID 158266232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).