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

C15H21N3O — CID 53193748

IUPAC8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C15H21N3O/c1-11-13-7-8-14(19)18(15(13)17-10-16-11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3
InChIKeyDAHWLVZFFYCUAV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds2

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

8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193748) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193748
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CC1CCCCC1
InChIInChI=1S/C15H21N3O/c1-11-13-7-8-14(19)18(15(13)17-10-16-11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3
InChIKeyDAHWLVZFFYCUAV-UHFFFAOYSA-N
XLogP2.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193748) is 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CC1CCCCC1.
What is the InChIKey of 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DAHWLVZFFYCUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-13-7-8-14(19)18(15(13)17-10-16-11)9-12-5-3-2-4-6-12/h10,12H,2-9H2,1H3.
What are the key properties of 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 259.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).