N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide

C20H16F2N4O — CID 109308085

IUPACN-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H16F2N4O/c21-15-6-3-7-16(22)18(15)25-19(27)17-8-10-23-20(24-17)26-11-9-13-4-1-2-5-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27)
InChIKeyHKKIFZISDSNQIT-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.57
Rot. Bonds3

About N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide

N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide (PubChem CID 109308085) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
PubChem CID109308085
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1ccnc(N2CCc3ccccc3C2)n1
InChIInChI=1S/C20H16F2N4O/c21-15-6-3-7-16(22)18(15)25-19(27)17-8-10-23-20(24-17)26-11-9-13-4-1-2-5-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27)
InChIKeyHKKIFZISDSNQIT-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-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

N-(2,6-dichlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308078
N-(2,6-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310649
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109308071
N-(3-acetylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109308059
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109308015
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109307986
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109330570
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330561
N-(2,6-difluorophenyl)-6-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109100342
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109213889

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide (CID 109308085) is N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide is O=C(Nc1c(F)cccc1F)c1ccnc(N2CCc3ccccc3C2)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide?
The InChIKey is HKKIFZISDSNQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c21-15-6-3-7-16(22)18(15)25-19(27)17-8-10-23-20(24-17)26-11-9-13-4-1-2-5-14(13)12-26/h1-8,10H,9,11-12H2,(H,25,27).
What are the key properties of N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide?
N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109308085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).