N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

C17H24N4S — CID 56714740

IUPACN,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C17H24N4S/c1-12-6-9-22-16(12)11-21(3)17-10-15(19-13(2)20-17)14-4-7-18-8-5-14/h6,9-10,14,18H,4-5,7-8,11H2,1-3H3
InChIKeyQMDWQMLTEJNMLB-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.26
Rot. Bonds4

About N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine

N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56714740) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56714740
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC NameN,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
SMILESCc1nc(C2CCNCC2)cc(N(C)Cc2sccc2C)n1
InChIInChI=1S/C17H24N4S/c1-12-6-9-22-16(12)11-21(3)17-10-15(19-13(2)20-17)14-4-7-18-8-5-14/h6,9-10,14,18H,4-5,7-8,11H2,1-3H3
InChIKeyQMDWQMLTEJNMLB-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine 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

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
CID 56703514
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56703021
N,4,6-trimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 78848600
N,2-dimethyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 56711716
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210838
3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 83841920
4-[(4-fluorophenyl)methyl]-2-methyl-6-piperidin-4-ylpyrimidine
CID 110090018
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126432434
N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368
2-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine
CID 110090085
3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769835

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine (CID 56714740) is N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is Cc1nc(C2CCNCC2)cc(N(C)Cc2sccc2C)n1.
What is the InChIKey of N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is QMDWQMLTEJNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-6-9-22-16(12)11-21(3)17-10-15(19-13(2)20-17)14-4-7-18-8-5-14/h6,9-10,14,18H,4-5,7-8,11H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine?
N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 316.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56714740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).