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

C16H23N3O — CID 135866077

IUPAC7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCC1)C2
InChIInChI=1S/C16H23N3O/c20-16-13-7-8-19(9-11-3-1-2-4-11)10-14(13)17-15(18-16)12-5-6-12/h11-12H,1-10H2,(H,17,18,20)
InChIKeyVBQJFXLEIJVRNA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.20
Rot. Bonds3

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

7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135866077) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135866077
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCC1)C2
InChIInChI=1S/C16H23N3O/c20-16-13-7-8-19(9-11-3-1-2-4-11)10-14(13)17-15(18-16)12-5-6-12/h11-12H,1-10H2,(H,17,18,20)
InChIKeyVBQJFXLEIJVRNA-UHFFFAOYSA-N
XLogP2.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethyl)-7-[(1-isopropyl-4-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217057
7-(Cyclopropanecarbonyl)-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796586
2-[1-(Cyclopropanecarbonyl)piperidin-2-yl]-7-propanoyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796627
7-Cyclopentyl-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796946
7-(Cyclopentylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866086
7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
2-(cyclopropylmethyl)-7-[(1-ethyl-4-piperidinyl)acetyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217014
2-Cyclopropyl-3-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83888976
3-(Cyclopentylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483900
2-Cyclopropyl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863937
2-Propan-2-yl-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863944
2-(Cyclopropylmethyl)-7-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863950

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135866077) is 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCC1)C2.
What is the InChIKey of 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VBQJFXLEIJVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16-13-7-8-19(9-11-3-1-2-4-11)10-14(13)17-15(18-16)12-5-6-12/h11-12H,1-10H2,(H,17,18,20).
What are the key properties of 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopentylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135866077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).