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

C16H16N4S — CID 44593471

IUPACN-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)cs3)n2)c1
InChIInChI=1S/C16H16N4S/c1-10-6-11(2)8-13(7-10)19-16-17-5-4-14(20-16)15-18-12(3)9-21-15/h4-9H,1-3H3,(H,17,19,20)
InChIKeyIUVDZGOUQXJDQC-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.27
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44593471) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44593471
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC NameN-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3nc(C)cs3)n2)c1
InChIInChI=1S/C16H16N4S/c1-10-6-11(2)8-13(7-10)19-16-17-5-4-14(20-16)15-18-12(3)9-21-15/h4-9H,1-3H3,(H,17,19,20)
InChIKeyIUVDZGOUQXJDQC-UHFFFAOYSA-N
XLogP4.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44593471) is N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3nc(C)cs3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is IUVDZGOUQXJDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-10-6-11(2)8-13(7-10)19-16-17-5-4-14(20-16)15-18-12(3)9-21-15/h4-9H,1-3H3,(H,17,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(4-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 296.40 g/mol, XLogP of 4.27, 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-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44593471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).