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

C17H25N3O — CID 135865778

IUPAC7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCCC1)C2
InChIInChI=1S/C17H25N3O/c21-17-14-8-9-20(10-12-4-2-1-3-5-12)11-15(14)18-16(19-17)13-6-7-13/h12-13H,1-11H2,(H,18,19,21)
InChIKeyGMSWNPUGWQZZQJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.59
Rot. Bonds3

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

7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135865778) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135865778
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCCC1)C2
InChIInChI=1S/C17H25N3O/c21-17-14-8-9-20(10-12-4-2-1-3-5-12)11-15(14)18-16(19-17)13-6-7-13/h12-13H,1-11H2,(H,18,19,21)
InChIKeyGMSWNPUGWQZZQJ-UHFFFAOYSA-N
XLogP2.59
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867260
2-cyclohexyl-7-[(2-hydroxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865980
7-(cyclohexylmethyl)-2-[(2R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136869359
7-(cyclopentylmethyl)-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866088
2-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865920
6-(cyclohexylmethyl)-2-piperidin-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;dihydrochloride
CID 171688101
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019
6-(cyclohex-3-en-1-ylmethyl)-2-cyclopropyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918837
2-cyclopropyl-7-[(3,4-dichlorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864976
7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
6-(cyclohexylmethyl)-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795689
2-cyclopropyl-7-[(2,5-diethoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863817

Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135865778) is 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(C2CC2)nc2c1CCN(CC1CCCCC1)C2.
What is the InChIKey of 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GMSWNPUGWQZZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17-14-8-9-20(10-12-4-2-1-3-5-12)11-15(14)18-16(19-17)13-6-7-13/h12-13H,1-11H2,(H,18,19,21).
What are the key properties of 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 287.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylmethyl)-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135865778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).