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

C16H20N4O — CID 177383010

IUPAC2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCc2nc(NCc3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C16H20N4O/c1-2-20-9-8-14-13(11-20)15(21)19-16(18-14)17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,17,18,19,21)
InChIKeyZGIOZUWNERLEKF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.76
Rot. Bonds4

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

2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 177383010) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID177383010
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN1CCc2nc(NCc3ccccc3)[nH]c(=O)c2C1
InChIInChI=1S/C16H20N4O/c1-2-20-9-8-14-13(11-20)15(21)19-16(18-14)17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,17,18,19,21)
InChIKeyZGIOZUWNERLEKF-UHFFFAOYSA-N
XLogP1.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

11-Benzyl-5-[(2-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161687
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
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-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile
CID 135412483
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-[(3-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161671
11-Benzyl-5-[(4-methylphenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161681
11-Benzyl-5-[(4-fluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),6-dien-8-one
CID 166161682

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 177383010) is 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCN1CCc2nc(NCc3ccccc3)[nH]c(=O)c2C1.
What is the InChIKey of 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZGIOZUWNERLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20-9-8-14-13(11-20)15(21)19-16(18-14)17-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,17,18,19,21).
What are the key properties of 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 284.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-ethyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 177383010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).