1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C16H18N6S — CID 6539304

IUPAC1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(N)sc1-c1ccnc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
InChIKeyWGPQOBMGPFXDSX-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.30
Rot. Bonds4

About 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 6539304) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID6539304
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1nc(N)sc1-c1ccnc(Nc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
InChIKeyWGPQOBMGPFXDSX-UHFFFAOYSA-N
XLogP3.30
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-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 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 6539304) is 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1nc(N)sc1-c1ccnc(Nc2ccc(N(C)C)cc2)n1.
What is the InChIKey of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is WGPQOBMGPFXDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21).
What are the key properties of 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 326.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 6539304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).