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

C12H17N5S — CID 71850493

IUPAC2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(CN(C)c2nccc(N(C)C)n2)cs1
InChIInChI=1S/C12H17N5S/c1-9-14-10(8-18-9)7-17(4)12-13-6-5-11(15-12)16(2)3/h5-6,8H,7H2,1-4H3
InChIKeyAOPZMANKEFEFPK-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.94
Rot. Bonds4

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

2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 71850493) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID71850493
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nc(CN(C)c2nccc(N(C)C)n2)cs1
InChIInChI=1S/C12H17N5S/c1-9-14-10(8-18-9)7-17(4)12-13-6-5-11(15-12)16(2)3/h5-6,8H,7H2,1-4H3
InChIKeyAOPZMANKEFEFPK-UHFFFAOYSA-N
XLogP1.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N,4-N,4-N-trimethyl-2-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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 71850493) is 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is Cc1nc(CN(C)c2nccc(N(C)C)n2)cs1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is AOPZMANKEFEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-9-14-10(8-18-9)7-17(4)12-13-6-5-11(15-12)16(2)3/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71850493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).