N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine

C23H30N6 — CID 92624402

IUPACN,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)Cc1cccc2ncccc12
InChIInChI=1S/C23H30N6/c1-28(2)23-13-21(17-8-5-11-24-14-17)26-22(27-23)16-29(3)15-18-7-4-10-20-19(18)9-6-12-25-20/h4,6-7,9-10,12-13,17,24H,5,8,11,14-16H2,1-3H3/t17-/m0/s1
InChIKeyABXACLNNHLWILI-KRWDZBQOSA-N
MW390.54 g/mol
LogP3.19
Rot. Bonds6

About N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine

N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 92624402) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID92624402
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESCN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)Cc1cccc2ncccc12
InChIInChI=1S/C23H30N6/c1-28(2)23-13-21(17-8-5-11-24-14-17)26-22(27-23)16-29(3)15-18-7-4-10-20-19(18)9-6-12-25-20/h4,6-7,9-10,12-13,17,24H,5,8,11,14-16H2,1-3H3/t17-/m0/s1
InChIKeyABXACLNNHLWILI-KRWDZBQOSA-N
XLogP3.19
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-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-[[4-(dimethylamino)-6-[(3R)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2-(2-methylquinolin-4-yl)oxyacetamide
CID 92624383
N-methyl-6-[[methyl(quinolin-5-ylmethyl)amino]methyl]-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 110092413
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N,N-dimethyl-2-pyridin-4-yl-6-[(3S)-1-(quinolin-5-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 92607008
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(quinolin-5-ylmethyl)pyrimidine-2,4-diamine
CID 91778439
N-methyl-N-(quinolin-4-ylmethyl)piperidin-3-amine
CID 63868534
N-[[4-(dimethylamino)-6-[(3S)-piperidin-3-yl]pyrimidin-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 92624444
N-[[4-(dimethylamino)-6-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)pyrimidin-2-yl]methyl]-N-methylquinoline-5-carboxamide
CID 110250855
3-[6-[methyl(quinolin-5-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785441
N,N-dimethyl-4-piperidin-3-ylpyrimidin-2-amine
CID 66509672
1-piperidin-3-ylisoquinoline
CID 84782419
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (CID 92624402) is N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is CN(Cc1nc([C@H]2CCCNC2)cc(N(C)C)n1)Cc1cccc2ncccc12.
What is the InChIKey of N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is ABXACLNNHLWILI-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N6/c1-28(2)23-13-21(17-8-5-11-24-14-17)26-22(27-23)16-29(3)15-18-7-4-10-20-19(18)9-6-12-25-20/h4,6-7,9-10,12-13,17,24H,5,8,11,14-16H2,1-3H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 390.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[methyl(quinolin-5-ylmethyl)amino]methyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 92624402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).