7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H23N3O — CID 135865784

IUPAC7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2
InChIInChI=1S/C15H23N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,16,17,19)
InChIKeyKACCRSKZQOGAEM-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds2

About 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135865784) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135865784
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2
InChIInChI=1S/C15H23N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,16,17,19)
InChIKeyKACCRSKZQOGAEM-UHFFFAOYSA-N
XLogP2.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135865784) is 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KACCRSKZQOGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-16-14-10-18(8-7-13(14)15(19)17-11)9-12-5-3-2-4-6-12/h12H,2-10H2,1H3,(H,16,17,19).
What are the key properties of 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 261.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135865784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).