2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

C13H20N4O — CID 136965762

IUPAC2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C13H20N4O/c18-12-10-6-7-14-8-11(10)16-13(17-12)15-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,15,16,17,18)
InChIKeyVJXFJRCDGAFJLR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.16
Rot. Bonds2

About 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one

2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136965762) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136965762
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCCC2)nc2c1CCNC2
InChIInChI=1S/C13H20N4O/c18-12-10-6-7-14-8-11(10)16-13(17-12)15-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,15,16,17,18)
InChIKeyVJXFJRCDGAFJLR-UHFFFAOYSA-N
XLogP1.16
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965770
2-(4-hydroxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965768
2-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135741595
2-(2-chloroanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965778
2-(thiolan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941556
2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 155807006
2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
2-(2-methoxyanilino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965781
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743097
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136965762) is 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(NC2CCCCC2)nc2c1CCNC2.
What is the InChIKey of 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VJXFJRCDGAFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-12-10-6-7-14-8-11(10)16-13(17-12)15-9-4-2-1-3-5-9/h9,14H,1-8H2,(H2,15,16,17,18).
What are the key properties of 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one?
2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136965762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).