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

C9H11N5S — CID 80845296

IUPAC2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2cscn2)n1
InChIInChI=1S/C9H11N5S/c1-10-9-11-3-2-8(14-9)12-4-7-5-15-6-13-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12,14)
InChIKeyKBTHRKQSTCBTJL-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.59
Rot. Bonds4

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

2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80845296) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80845296
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2cscn2)n1
InChIInChI=1S/C9H11N5S/c1-10-9-11-3-2-8(14-9)12-4-7-5-15-6-13-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12,14)
InChIKeyKBTHRKQSTCBTJL-UHFFFAOYSA-N
XLogP1.59
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-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-N,6-dimethyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845473
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174009
2-cyclopropyl-6-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 80959620
N-(1,3-thiazol-4-ylmethyl)-1,2-oxazol-3-amine
CID 130621107
6-N-methyl-2-phenyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 115915607
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 62313093
2-N-methyl-4-N-(quinolin-8-ylmethyl)pyrimidine-2,4-diamine
CID 81424090
1-ethyl-N-(1,3-thiazol-4-ylmethyl)imidazol-2-amine
CID 63831198
2-N-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 114174041
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 114139877

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 80845296) is 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is CNc1nccc(NCc2cscn2)n1.
What is the InChIKey of 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is KBTHRKQSTCBTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-10-9-11-3-2-8(14-9)12-4-7-5-15-6-13-7/h2-3,5-6H,4H2,1H3,(H2,10,11,12,14).
What are the key properties of 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80845296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).