2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

C10H13N5S — CID 80807957

IUPAC2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2csc(C)n2)n1
InChIInChI=1S/C10H13N5S/c1-7-14-8(6-16-7)5-13-9-3-4-12-10(11-2)15-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,15)
InChIKeyJSVUKNUMKRZBIN-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.90
Rot. Bonds4

About 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80807957) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80807957
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(NCc2csc(C)n2)n1
InChIInChI=1S/C10H13N5S/c1-7-14-8(6-16-7)5-13-9-3-4-12-10(11-2)15-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,15)
InChIKeyJSVUKNUMKRZBIN-UHFFFAOYSA-N
XLogP1.90
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]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-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845296
2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174009
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115735816
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390820
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80807957) is 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is CNc1nccc(NCc2csc(C)n2)n1.
What is the InChIKey of 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is JSVUKNUMKRZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-14-8(6-16-7)5-13-9-3-4-12-10(11-2)15-9/h3-4,6H,5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.90, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80807957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).