N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine

C17H18N4S — CID 58974728

IUPACN-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(C)s3)n2)c1
InChIInChI=1S/C17H18N4S/c1-10-7-11(2)9-14(8-10)20-17-18-6-5-15(21-17)16-19-12(3)13(4)22-16/h5-9H,1-4H3,(H,18,20,21)
InChIKeyKDXCWYUCKKZWGV-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.58
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 58974728) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID58974728
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC NameN-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)c(C)s3)n2)c1
InChIInChI=1S/C17H18N4S/c1-10-7-11(2)9-14(8-10)20-17-18-6-5-15(21-17)16-19-12(3)13(4)22-16/h5-9H,1-4H3,(H,18,20,21)
InChIKeyKDXCWYUCKKZWGV-UHFFFAOYSA-N
XLogP4.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58974646
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 25113172
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methylsulfanyl-1,3-thiazole-4-carboxylic acid
CID 58974781
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11209142
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
N-(3,5-dimethylphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 15653050
2-[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-4-yl]acetonitrile
CID 11163018
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 11280419
N-(3,5-dimethylphenyl)-4-[5-[(pyridin-3-ylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[(pyridin-4-ylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 157186090
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 58974828

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 58974728) is N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(C)s3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is KDXCWYUCKKZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-10-7-11(2)9-14(8-10)20-17-18-6-5-15(21-17)16-19-12(3)13(4)22-16/h5-9H,1-4H3,(H,18,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 310.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 58974728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).