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

C13H19N3O — CID 103483900

IUPAC3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCC1)CNCC2
InChIInChI=1S/C13H19N3O/c17-13-11-5-6-14-7-12(11)15-9-16(13)8-10-3-1-2-4-10/h9-10,14H,1-8H2
InChIKeyRCBLDTWRBFDHKV-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.08
Rot. Bonds2

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

3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483900) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483900
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCC1)CNCC2
InChIInChI=1S/C13H19N3O/c17-13-11-5-6-14-7-12(11)15-9-16(13)8-10-3-1-2-4-10/h9-10,14H,1-8H2
InChIKeyRCBLDTWRBFDHKV-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Cyclopentylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866086
7-[2-(Azepan-4-yl)-2-fluoroacetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 166299002
7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675
3-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480676
3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105310
3-Cyclopentyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83888983
7-(2-cyclopentylethyl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100664186
7-(cyclohexylmethyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100765292
3-[2-(Dimethylamino)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483478
3-(Cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483482

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483900) is 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CC1CCCC1)CNCC2.
What is the InChIKey of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RCBLDTWRBFDHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13-11-5-6-14-7-12(11)15-9-16(13)8-10-3-1-2-4-10/h9-10,14H,1-8H2.
What are the key properties of 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).