4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one

C16H22N4O — CID 136979289

IUPAC4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCN(Cc1ccccc1N)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C16H22N4O/c1-3-9-20(11-12-7-5-6-8-13(12)17)15-10-16(21)19-14(4-2)18-15/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,18,19,21)
InChIKeyYZCYXNQPYJSIAO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds6

About 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one

4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979289) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979289
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCCN(Cc1ccccc1N)c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C16H22N4O/c1-3-9-20(11-12-7-5-6-8-13(12)17)15-10-16(21)19-14(4-2)18-15/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,18,19,21)
InChIKeyYZCYXNQPYJSIAO-UHFFFAOYSA-N
XLogP2.33
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetic acid
CID 136958573
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 137009356
4-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136752203
2-ethyl-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 137009106
4-[cyclopropylmethyl(ethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137009729
4-[(4-aminocyclohexyl)-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136978638
2-[(2-aminophenyl)methyl-propylamino]pyridine-4-carbonitrile
CID 60877236
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
4-[(2-aminophenyl)methyl-propylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979290
3-(N-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)anilino)propanenitrile
CID 136972915

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136979289) is 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one is CCCN(Cc1ccccc1N)c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YZCYXNQPYJSIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-20(11-12-7-5-6-8-13(12)17)15-10-16(21)19-14(4-2)18-15/h5-8,10H,3-4,9,11,17H2,1-2H3,(H,18,19,21).
What are the key properties of 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).