4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine

C15H22N6S — CID 171995992

IUPAC4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3cscn3)C2)n1
InChIInChI=1S/C15H22N6S/c1-20(2)14-5-6-16-15(19-14)18-12-4-3-7-21(8-12)9-13-10-22-11-17-13/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,16,18,19)
InChIKeyWQNBWHMAUJTZCV-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.08
Rot. Bonds5

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

4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 171995992) has the molecular formula C15H22N6S and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID171995992
Molecular FormulaC15H22N6S
Molecular Weight318.45 g/mol
Exact Mass318.16
IUPAC Name4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(Cc3cscn3)C2)n1
InChIInChI=1S/C15H22N6S/c1-20(2)14-5-6-16-15(19-14)18-12-4-3-7-21(8-12)9-13-10-22-11-17-13/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,16,18,19)
InChIKeyWQNBWHMAUJTZCV-UHFFFAOYSA-N
XLogP2.08
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]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

4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171996730
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174
4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580
N-cyclopropyl-4-[1-[2-(1,3-thiazol-4-yl)ethyl]piperidin-3-yl]pyrimidin-2-amine
CID 44591284
2-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171995725
2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 171993952
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171996700
N-methyl-2-morpholin-4-yl-N-[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902619

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine (CID 171995992) is 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is CN(C)c1ccnc(NC2CCCN(Cc3cscn3)C2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is WQNBWHMAUJTZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6S/c1-20(2)14-5-6-16-15(19-14)18-12-4-3-7-21(8-12)9-13-10-22-11-17-13/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,16,18,19).
What are the key properties of 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine?
4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 318.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 171995992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).