6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C15H15N5S — CID 115915607

IUPAC6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cscn2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5S/c1-16-13-7-14(17-8-12-9-21-10-18-12)20-15(19-13)11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,16,17,19,20)
InChIKeyLITSCKWXTATJBT-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.25
Rot. Bonds5

About 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 115915607) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID115915607
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2cscn2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H15N5S/c1-16-13-7-14(17-8-12-9-21-10-18-12)20-15(19-13)11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,16,17,19,20)
InChIKeyLITSCKWXTATJBT-UHFFFAOYSA-N
XLogP3.25
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80959620
2-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845296
6-N-ethyl-2-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80949872
N-methyl-2,6-diphenylpyrimidin-4-amine
CID 4713922
N-methyl-2-phenyl-6-thiophen-3-ylpyrimidin-4-amine
CID 112559733
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
N-(1,3-thiazol-4-ylmethyl)-2-thiophen-3-ylquinazolin-4-amine
CID 49430846
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
2-[[6-(methylamino)-2-phenylpyrimidin-4-yl]amino]propane-1,3-diol
CID 115915673

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 115915607) is 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(NCc2cscn2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is LITSCKWXTATJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-16-13-7-14(17-8-12-9-21-10-18-12)20-15(19-13)11-5-3-2-4-6-11/h2-7,9-10H,8H2,1H3,(H2,16,17,19,20).
What are the key properties of 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 297.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).