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

C14H21N3O — CID 103483482

IUPAC3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCCC1)CNCC2
InChIInChI=1S/C14H21N3O/c18-14-12-6-7-15-8-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h10-11,15H,1-9H2
InChIKeyUZWWWLBUTZWZAA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.47
Rot. Bonds2

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

3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483482) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483482
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCCC1)CNCC2
InChIInChI=1S/C14H21N3O/c18-14-12-6-7-15-8-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h10-11,15H,1-9H2
InChIKeyUZWWWLBUTZWZAA-UHFFFAOYSA-N
XLogP1.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Cyclohexylmethyl)-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865787
7-[(1S,3R)-3-(fluoromethyl)cyclohexanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155959927
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
7-[(trans-4-butylcyclohexyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112904
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
3-[2-(Methylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589595
3-[2-(Ethylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589596
3-[2-(Propylamino)ethyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 54589597
3-(Piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 82105311
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

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483482) is 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CC1CCCCC1)CNCC2.
What is the InChIKey of 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UZWWWLBUTZWZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14-12-6-7-15-8-13(12)16-10-17(14)9-11-4-2-1-3-5-11/h10-11,15H,1-9H2.
What are the key properties of 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).