4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one

C16H20N4O — CID 136979194

IUPAC4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCN(Cc1cccc(N)c1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-2-20(10-11-4-3-5-13(17)8-11)14-9-15(21)19-16(18-14)12-6-7-12/h3-5,8-9,12H,2,6-7,10,17H2,1H3,(H,18,19,21)
InChIKeyZIQATXWAIWHTNG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.26
Rot. Bonds5

About 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one

4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136979194) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136979194
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCN(Cc1cccc(N)c1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H20N4O/c1-2-20(10-11-4-3-5-13(17)8-11)14-9-15(21)19-16(18-14)12-6-7-12/h3-5,8-9,12H,2,6-7,10,17H2,1H3,(H,18,19,21)
InChIKeyZIQATXWAIWHTNG-UHFFFAOYSA-N
XLogP2.26
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-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

4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetic acid
CID 136958564
4-[bis(cyclopropylmethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137009734
4-[(5-amino-2-chlorophenyl)methyl-methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136979346
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009357
N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372842
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
N-[(3-aminophenyl)methyl]-N-cyclopropylmethanesulfonamide
CID 43460760
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136979194) is 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one is CCN(Cc1cccc(N)c1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ZIQATXWAIWHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-20(10-11-4-3-5-13(17)8-11)14-9-15(21)19-16(18-14)12-6-7-12/h3-5,8-9,12H,2,6-7,10,17H2,1H3,(H,18,19,21).
What are the key properties of 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 284.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminophenyl)methyl-ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).