2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one

C14H22N4O — CID 136958024

IUPAC2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC3C(CCCN3C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10-15-13(8-14(19)16-10)18-7-5-12-11(9-18)4-3-6-17(12)2/h8,11-12H,3-7,9H2,1-2H3,(H,15,16,19)
InChIKeyRLLIFOKIAGQBNN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.00
Rot. Bonds1

About 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one

2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one (PubChem CID 136958024) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
PubChem CID136958024
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC3C(CCCN3C)C2)cc(=O)[nH]1
InChIInChI=1S/C14H22N4O/c1-10-15-13(8-14(19)16-10)18-7-5-12-11(9-18)4-3-6-17(12)2/h8,11-12H,3-7,9H2,1-2H3,(H,15,16,19)
InChIKeyRLLIFOKIAGQBNN-UHFFFAOYSA-N
XLogP1.00
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one (CID 136958024) is 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCC3C(CCCN3C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
The InChIKey is RLLIFOKIAGQBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-15-13(8-14(19)16-10)18-7-5-12-11(9-18)4-3-6-17(12)2/h8,11-12H,3-7,9H2,1-2H3,(H,15,16,19).
What are the key properties of 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one?
2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one has a molecular weight of 262.36 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136958024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).