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

C15H14N4S — CID 59177709

IUPACN-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine
SMILESCNc1nc(-c2ccccc2)cc(-c2cnc(C)s2)n1
InChIInChI=1S/C15H14N4S/c1-10-17-9-14(20-10)13-8-12(18-15(16-2)19-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,19)
InChIKeyKADWNILJOZUJQY-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.62
Rot. Bonds3

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

N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine (PubChem CID 59177709) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine
PubChem CID59177709
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine
SMILESCNc1nc(-c2ccccc2)cc(-c2cnc(C)s2)n1
InChIInChI=1S/C15H14N4S/c1-10-17-9-14(20-10)13-8-12(18-15(16-2)19-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,19)
InChIKeyKADWNILJOZUJQY-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine (CID 59177709) is N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine is CNc1nc(-c2ccccc2)cc(-c2cnc(C)s2)n1.
What is the InChIKey of N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is KADWNILJOZUJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-10-17-9-14(20-10)13-8-12(18-15(16-2)19-13)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,18,19).
What are the key properties of N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine?
N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 282.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methyl-1,3-thiazol-5-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 59177709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).