7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H25N3O — CID 100664186

IUPAC7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(CCC1CCCC1)C2
InChIInChI=1S/C16H25N3O/c1-2-19-12-17-15-11-18(10-8-14(15)16(19)20)9-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3
InChIKeyNEDOFLFOVXMHMM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.20
Rot. Bonds4

About 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 100664186) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID100664186
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(CCC1CCCC1)C2
InChIInChI=1S/C16H25N3O/c1-2-19-12-17-15-11-18(10-8-14(15)16(19)20)9-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3
InChIKeyNEDOFLFOVXMHMM-UHFFFAOYSA-N
XLogP2.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 100664186) is 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(CCC1CCCC1)C2.
What is the InChIKey of 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NEDOFLFOVXMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19-12-17-15-11-18(10-8-14(15)16(19)20)9-7-13-5-3-4-6-13/h12-13H,2-11H2,1H3.
What are the key properties of 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 275.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 100664186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).