N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C14H12N4S — CID 20741385

IUPACN-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C14H12N4S/c1-10-3-2-4-11(9-10)17-14-16-6-5-12(18-14)13-15-7-8-19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyNYGKSLDYPFTJBU-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.65
Rot. Bonds3

About N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 20741385) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID20741385
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC NameN-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cccc(Nc2nccc(-c3nccs3)n2)c1
InChIInChI=1S/C14H12N4S/c1-10-3-2-4-11(9-10)17-14-16-6-5-12(18-14)13-15-7-8-19-13/h2-9H,1H3,(H,16,17,18)
InChIKeyNYGKSLDYPFTJBU-UHFFFAOYSA-N
XLogP3.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 20741385) is N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cccc(Nc2nccc(-c3nccs3)n2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is NYGKSLDYPFTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-10-3-2-4-11(9-10)17-14-16-6-5-12(18-14)13-15-7-8-19-13/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 268.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 20741385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).