6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

C15H14N4S — CID 108772038

IUPAC6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(-c3csc(C)n3)cc2)ncn1
InChIInChI=1S/C15H14N4S/c1-10-7-15(17-9-16-10)19-13-5-3-12(4-6-13)14-8-20-11(2)18-14/h3-9H,1-2H3,(H,16,17,19)
InChIKeyGKNRZKUEJWBGLV-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.96
Rot. Bonds3

About 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 108772038) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID108772038
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(-c3csc(C)n3)cc2)ncn1
InChIInChI=1S/C15H14N4S/c1-10-7-15(17-9-16-10)19-13-5-3-12(4-6-13)14-8-20-11(2)18-14/h3-9H,1-2H3,(H,16,17,19)
InChIKeyGKNRZKUEJWBGLV-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
CID 108772051
6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775741
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-nitropyridin-2-amine
CID 67997202
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyrimidin-4-amine
CID 108779659
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 116967862
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
N-(6-methylpyrimidin-4-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777905
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108772054

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 108772038) is 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2ccc(-c3csc(C)n3)cc2)ncn1.
What is the InChIKey of 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is GKNRZKUEJWBGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-7-15(17-9-16-10)19-13-5-3-12(4-6-13)14-8-20-11(2)18-14/h3-9H,1-2H3,(H,16,17,19).
What are the key properties of 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 282.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 108772038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).