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

C18H22N4O — CID 177383011

IUPAC2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CN(CC1CC1)CC2
InChIInChI=1S/C18H22N4O/c23-17-15-12-22(11-14-6-7-14)9-8-16(15)20-18(21-17)19-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,20,21,23)
InChIKeyLLQLUJGDFPRLQH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.15
Rot. Bonds5

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

2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177383011) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177383011
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccccc2)nc2c1CN(CC1CC1)CC2
InChIInChI=1S/C18H22N4O/c23-17-15-12-22(11-14-6-7-14)9-8-16(15)20-18(21-17)19-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,20,21,23)
InChIKeyLLQLUJGDFPRLQH-UHFFFAOYSA-N
XLogP2.15
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
2-(3,4-dihydro-2(1H)-isoquinolinyl)-6-methyl-5-(3-methylbutyl)-4(3H)-pyrimidinone
CID 135399497
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
11-Benzyl-5-(cyclohexylmethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161710
11-Benzyl-5-(2-phenylethyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161712
5,11-Dibenzyl-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161720
11-Benzyl-5-(3-methylbutyl)-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161725
2-Amino-8-benzyl-2,8-dihydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 44355752
2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177383011) is 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(NCc2ccccc2)nc2c1CN(CC1CC1)CC2.
What is the InChIKey of 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LLQLUJGDFPRLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-17-15-12-22(11-14-6-7-14)9-8-16(15)20-18(21-17)19-10-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H2,19,20,21,23).
What are the key properties of 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-(cyclopropylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177383011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).