2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H27N5O2 — CID 135943873

IUPAC2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1ccc(CN2CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C2)o1
InChIInChI=1S/C22H27N5O2/c1-3-27(4-2)20-10-9-17(29-20)13-26-12-11-19-18(14-26)22(28)25-21(24-19)15-5-7-16(23)8-6-15/h5-10H,3-4,11-14,23H2,1-2H3,(H,24,25,28)
InChIKeyYJQKLJVHVJUWGJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943873) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135943873
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCN(CC)c1ccc(CN2CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C2)o1
InChIInChI=1S/C22H27N5O2/c1-3-27(4-2)20-10-9-17(29-20)13-26-12-11-19-18(14-26)22(28)25-21(24-19)15-5-7-16(23)8-6-15/h5-10H,3-4,11-14,23H2,1-2H3,(H,24,25,28)
InChIKeyYJQKLJVHVJUWGJ-UHFFFAOYSA-N
XLogP3.02
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)-6-[(5-methylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860968
2-(4-chlorophenyl)-6-[(5-ethylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861588
2-(4-aminophenyl)-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919994
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862395
2-(4-aminophenyl)-6-[(2,6-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917341
6-[(5-acetylthiophen-2-yl)methyl]-2-(4-aminophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942555
2-(4-aminophenyl)-6-[(2-chlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917641
5-[(4-oxo-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 135861438
6-[(5-iodofuran-2-yl)methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862418
2-(4-aminophenyl)-6-[(2-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918140
5-[[2-(4-chlorophenyl)-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-sulfonate
CID 135860949
6-[(5-bromofuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862406

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943873) is 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCN(CC)c1ccc(CN2CCc3nc(-c4ccc(N)cc4)[nH]c(=O)c3C2)o1.
What is the InChIKey of 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YJQKLJVHVJUWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-27(4-2)20-10-9-17(29-20)13-26-12-11-19-18(14-26)22(28)25-21(24-19)15-5-7-16(23)8-6-15/h5-10H,3-4,11-14,23H2,1-2H3,(H,24,25,28).
What are the key properties of 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 393.49 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[[5-(diethylamino)furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).