N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide

C24H26N4O — CID 109329545

IUPACN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C24H26N4O/c1-3-27(16-19-9-5-4-6-10-19)23(29)22-15-18(2)25-24(26-22)28-14-13-20-11-7-8-12-21(20)17-28/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeyDDBJJNOACOHXOV-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.01
Rot. Bonds5

About N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide

N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109329545) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
PubChem CID109329545
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(C)nc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C24H26N4O/c1-3-27(16-19-9-5-4-6-10-19)23(29)22-15-18(2)25-24(26-22)28-14-13-20-11-7-8-12-21(20)17-28/h4-12,15H,3,13-14,16-17H2,1-2H3
InChIKeyDDBJJNOACOHXOV-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pemrametostat
CID 90241742
N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
Pyrimidine-4-carboxamide, 79
CID 44520953
Pyrimidine-4-carboxamide, 80
CID 44520966
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide (CID 109329545) is N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(C)nc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is DDBJJNOACOHXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-3-27(16-19-9-5-4-6-10-19)23(29)22-15-18(2)25-24(26-22)28-14-13-20-11-7-8-12-21(20)17-28/h4-12,15H,3,13-14,16-17H2,1-2H3.
What are the key properties of N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide?
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109329545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).