N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide

C20H24N4O — CID 109250307

IUPACN-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C20H24N4O/c25-19(23-18-8-2-1-3-9-18)17-12-21-20(22-13-17)24-11-10-15-6-4-5-7-16(15)14-24/h4-7,12-13,18H,1-3,8-11,14H2,(H,23,25)
InChIKeyOPFJJIVAZLOMTA-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds3

About N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide

N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide (PubChem CID 109250307) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
PubChem CID109250307
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C20H24N4O/c25-19(23-18-8-2-1-3-9-18)17-12-21-20(22-13-17)24-11-10-15-6-4-5-7-16(15)14-24/h4-7,12-13,18H,1-3,8-11,14H2,(H,23,25)
InChIKeyOPFJJIVAZLOMTA-UHFFFAOYSA-N
XLogP3.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylic acid
CID 82299175
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 84574711
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-4-carboxamide
CID 109081387
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109259767
2-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249597
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109259793
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide (CID 109250307) is N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is OPFJJIVAZLOMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(23-18-8-2-1-3-9-18)17-12-21-20(22-13-17)24-11-10-15-6-4-5-7-16(15)14-24/h4-7,12-13,18H,1-3,8-11,14H2,(H,23,25).
What are the key properties of N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).