2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide

C20H24N4O — CID 146080226

IUPAC2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
InChIInChI=1S/C20H24N4O/c1-3-24-10-9-16-15(12-24)5-4-6-17(16)23-20(25)18-11-13(2)21-19(22-18)14-7-8-14/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,23,25)
InChIKeyFNIGSLVTSUOBKR-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.29
Rot. Bonds4

About 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide

2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide (PubChem CID 146080226) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
PubChem CID146080226
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide
SMILESCCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1
InChIInChI=1S/C20H24N4O/c1-3-24-10-9-16-15(12-24)5-4-6-17(16)23-20(25)18-11-13(2)21-19(22-18)14-7-8-14/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,23,25)
InChIKeyFNIGSLVTSUOBKR-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 146078871
N-(2-bromo-4-methylphenyl)-2-cyclopropyl-6-methylpyrimidine-4-carboxamide
CID 163358449
2-cyclopropyl-N-[2-(2-hydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1H-pyrrole-3-carboxamide
CID 126810591
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146126036
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109330570
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-5-chloro-2,4-dimethoxybenzamide
CID 102242040
1-[4-[(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-3-nitrophenyl]ethanone
CID 133377180
1-[2-(2-hydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]-3-phenylurea
CID 111111655

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide (CID 146080226) is 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide is CCN1CCc2c(cccc2NC(=O)c2cc(C)nc(C3CC3)n2)C1.
What is the InChIKey of 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is FNIGSLVTSUOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-24-10-9-16-15(12-24)5-4-6-17(16)23-20(25)18-11-13(2)21-19(22-18)14-7-8-14/h4-6,11,14H,3,7-10,12H2,1-2H3,(H,23,25).
What are the key properties of 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide?
2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-ethyl-3,4-dihydro-1H-isoquinolin-5-yl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 146080226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).