2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine

C99H110F3N17S — CID 158772248

IUPAC2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine
SMILESCC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H12FN3.C11H12N4.C11H12N2S.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)9-4-5-10(14-9)11-12-6-3-7-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyIQADBVCQJIISAZ-UHFFFAOYSA-N
MW1627.15 g/mol
LogP25.58
Rot. Bonds15

About 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine

2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine (PubChem CID 158772248) has the molecular formula C99H110F3N17S and a molecular weight of 1627.15 g/mol. Its IUPAC name is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine
PubChem CID158772248
Molecular FormulaC99H110F3N17S
Molecular Weight1627.15 g/mol
Exact Mass1625.88
IUPAC Name2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine
SMILESCC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H12FN3.C11H12N4.C11H12N2S.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)9-4-5-10(14-9)11-12-6-3-7-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;4-6H,1-3H3
InChIKeyIQADBVCQJIISAZ-UHFFFAOYSA-N
XLogP25.58
TPSA219.13 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001627.15
LogP ≤ 525.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine 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

US11685744, Example 123
CID 164709720
US11685744, Example 43
CID 164709733
1-[(4-Tert-butylphenyl)methyl]-4-[2-(2-pyridin-4-yl-6-thiophen-2-ylpyrimidin-4-yl)ethyl]-1,4-diazepane
CID 155546460
FtsZ-IN-2
CID 155560904
5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-N-(5-thiophen-3-yl-2-pyridinyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 168282652
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-4-ylpyrimidin-4-yl)-1,3-thiazole
CID 145977271
4-Methyl-2-(4-phenylphenyl)-5-(2-pyridin-3-ylpyrimidin-4-yl)-1,3-thiazole
CID 145978648
5-(4-Fluorophenyl)-4-pyridin-4-yl-2-thiophen-2-ylpyrimidine
CID 23000382
5-{5-[6-Methyl-4-(4-trifluoromethyl-phenyl)-pyridin-2-yl]-thiophen-2-yl}-pyrimidin-2-ylamine
CID 24760511
CID 58731988
CID 58731988
4-ethyl-N-[5-[3-[4-[4-ethyl-6-[[4-[5-[[4-[4-ethyl-6-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]-2-pyridinyl]pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]-1-methylpiperazin-2-yl]phenyl]sulfanylpyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 91027382
4-ethyl-N-[5-[4-[1-[4-ethyl-6-[[4-[5-[[4-[4-ethyl-6-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]piperazin-1-yl]methyl]pyridin-2-yl]pyrimidin-2-yl]amino]-1,3,5-triazin-2-yl]-4-methylpiperazin-2-yl]phenyl]sulfanylpyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 91147331

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine?
The IUPAC name of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine (CID 158772248) is 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine?
The canonical SMILES for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine is CC(C)c1ccc(-c2ncccn2)cc1F.CC(C)c1ccc(-c2ncccn2)s1.CC(C)c1ncc(-c2ncccn2)cc1F.CC(C)c1ncc(-c2ncccn2)cn1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1ccc(-c2ccc(C(C)C)cc2)nc1.Cc1cnc(-c2ccc(C(C)C)cc2F)nc1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine?
The InChIKey is IQADBVCQJIISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H17N.C14H15FN2.C13H13FN2.C12H12FN3.C11H12N4.C11H12N2S.C8H12N2/c2*1-11(2)13-5-7-14(8-6-13)15-9-4-12(3)10-16-15;1-9(2)11-4-5-12(13(15)6-11)14-16-7-10(3)8-17-14;1-9(2)11-5-4-10(8-12(11)14)13-15-6-3-7-16-13;1-8(2)11-10(13)6-9(7-16-11)12-14-4-3-5-15-12;1-8(2)10-14-6-9(7-15-10)11-12-4-3-5-13-11;1-8(2)9-4-5-10(14-9)11-12-6-3-7-13-11;1-6(2)8-9-4-7(3)5-10-8/h2*4-11H,1-3H3;4-9H,1-3H3;3-9H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;3-8H,1-2H3;4-6H,1-3H3.
What are the key properties of 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine?
2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine has a molecular weight of 1627.15 g/mol, XLogP of 25.58, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine;2-(3-fluoro-4-propan-2-ylphenyl)pyrimidine;2-(5-fluoro-6-propan-2-yl-3-pyridinyl)pyrimidine;bis(5-methyl-2-(4-propan-2-ylphenyl)pyridine);5-methyl-2-propan-2-ylpyrimidine;2-propan-2-yl-5-pyrimidin-2-ylpyrimidine;2-(5-propan-2-ylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 158772248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).