4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine

C20H17N5S — CID 141131257

IUPAC4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(C)c(-c3ccnc(Nc4ccccc4)n3)s2)cn1
InChIInChI=1S/C20H17N5S/c1-13-8-9-15(12-22-13)19-23-14(2)18(26-19)17-10-11-21-20(25-17)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,24,25)
InChIKeyRKDZVHBHUDPJKH-UHFFFAOYSA-N
MW359.46 g/mol
LogP5.02
Rot. Bonds4

About 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine

4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine (PubChem CID 141131257) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
PubChem CID141131257
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
SMILESCc1ccc(-c2nc(C)c(-c3ccnc(Nc4ccccc4)n3)s2)cn1
InChIInChI=1S/C20H17N5S/c1-13-8-9-15(12-22-13)19-23-14(2)18(26-19)17-10-11-21-20(25-17)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,24,25)
InChIKeyRKDZVHBHUDPJKH-UHFFFAOYSA-N
XLogP5.02
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.46
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
1-[4-[4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 68937841
N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
CID 175251030
4-methyl-N-phenyl-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 141131245
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
3-[5-(2-anilinopyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-1,3-oxazolidin-2-one
CID 67348933
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
CID 89370521
CID 89370521
4-isoquinolin-4-yl-N-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 117078762
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
CID 66493679
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine (CID 141131257) is 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine is Cc1ccc(-c2nc(C)c(-c3ccnc(Nc4ccccc4)n3)s2)cn1.
What is the InChIKey of 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine?
The InChIKey is RKDZVHBHUDPJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-13-8-9-15(12-22-13)19-23-14(2)18(26-19)17-10-11-21-20(25-17)24-16-6-4-3-5-7-16/h3-12H,1-2H3,(H,21,24,25).
What are the key properties of 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine?
4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine has a molecular weight of 359.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 141131257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).