1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C18H26N4O — CID 133461987

IUPAC1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCc1cc(N2CCC3C(CCC(=O)N3C3CC3)C2)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-3-14-10-17(20-12(2)19-14)21-9-8-16-13(11-21)4-7-18(23)22(16)15-5-6-15/h10,13,15-16H,3-9,11H2,1-2H3
InChIKeyYNAZTBIJUGMIJP-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.33
Rot. Bonds3

About 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 133461987) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID133461987
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCCc1cc(N2CCC3C(CCC(=O)N3C3CC3)C2)nc(C)n1
InChIInChI=1S/C18H26N4O/c1-3-14-10-17(20-12(2)19-14)21-9-8-16-13(11-21)4-7-18(23)22(16)15-5-6-15/h10,13,15-16H,3-9,11H2,1-2H3
InChIKeyYNAZTBIJUGMIJP-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
4-[(4aR,8aR)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 97067599
4-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133461297
4-(2,5-dimethylpyrrolidin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133472422
4-(6-ethyl-2-methylpyrimidin-4-yl)-2-methyl-1,4-thiazinane 1,1-dioxide
CID 133461008
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(4aS,8aS)-6-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-cyclopropyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 98891047
3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
CID 72857742
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
5-(1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl)pyridine-2-carbonitrile
CID 86782096
5-[(4aS,8aS)-1-cyclopropyl-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]pyridine-2-carbonitrile
CID 99851194

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 133461987) is 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is CCc1cc(N2CCC3C(CCC(=O)N3C3CC3)C2)nc(C)n1.
What is the InChIKey of 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is YNAZTBIJUGMIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-14-10-17(20-12(2)19-14)21-9-8-16-13(11-21)4-7-18(23)22(16)15-5-6-15/h10,13,15-16H,3-9,11H2,1-2H3.
What are the key properties of 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(6-ethyl-2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 133461987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).