2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide

C20H27N5O — CID 96573603

IUPAC2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N(C)C[C@@H]1Cc2ccccc2CN1C
InChIInChI=1S/C20H27N5O/c1-14-18(11-21-20(22-14)23(2)3)19(26)25(5)13-17-10-15-8-6-7-9-16(15)12-24(17)4/h6-9,11,17H,10,12-13H2,1-5H3/t17-/m0/s1
InChIKeyGJAVXBZZBYQUBW-KRWDZBQOSA-N
MW353.47 g/mol
LogP1.98
Rot. Bonds4

About 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 96573603) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
PubChem CID96573603
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1nc(N(C)C)ncc1C(=O)N(C)C[C@@H]1Cc2ccccc2CN1C
InChIInChI=1S/C20H27N5O/c1-14-18(11-21-20(22-14)23(2)3)19(26)25(5)13-17-10-15-8-6-7-9-16(15)12-24(17)4/h6-9,11,17H,10,12-13H2,1-5H3/t17-/m0/s1
InChIKeyGJAVXBZZBYQUBW-KRWDZBQOSA-N
XLogP1.98
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide 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

2-(dimethylamino)-N,4-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 70723221
N,1-dimethyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398948
N,1-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 95398947
2-(1H-imidazol-2-yl)-N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]benzamide
CID 56919155
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]quinoxaline-6-carboxamide
CID 70785842
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 70727512
N,3,5-trimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 95047368
N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124853333
1-ethyl-N,7-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide;formic acid
CID 154915333
N,1-dimethyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]indole-6-carboxamide
CID 70725270
methyl N-[2-[methyl-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]-2-oxoethyl]carbamate
CID 96580861
N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 95136046

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide (CID 96573603) is 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide is Cc1nc(N(C)C)ncc1C(=O)N(C)C[C@@H]1Cc2ccccc2CN1C.
What is the InChIKey of 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is GJAVXBZZBYQUBW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O/c1-14-18(11-21-20(22-14)23(2)3)19(26)25(5)13-17-10-15-8-6-7-9-16(15)12-24(17)4/h6-9,11,17H,10,12-13H2,1-5H3/t17-/m0/s1.
What are the key properties of 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N,4-dimethyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 96573603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).