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

C16H22N4O — CID 136979223

IUPAC4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(Cc2ccc(N)cc2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c1-4-14-18-15(9-16(21)19-14)20(11(2)3)10-12-5-7-13(17)8-6-12/h5-9,11H,4,10,17H2,1-3H3,(H,18,19,21)
InChIKeyGZKGIZGTJCSYPA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds5

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

4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 136979223) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID136979223
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(N(Cc2ccc(N)cc2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O/c1-4-14-18-15(9-16(21)19-14)20(11(2)3)10-12-5-7-13(17)8-6-12/h5-9,11H,4,10,17H2,1-3H3,(H,18,19,21)
InChIKeyGZKGIZGTJCSYPA-UHFFFAOYSA-N
XLogP2.33
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)methyl-cyclopropylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979257
4-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]methyl]benzoic acid
CID 136958553
2-ethyl-4-[1-hydroxypropan-2-yl(methyl)amino]-1H-pyrimidin-6-one
CID 136979820
4-[bis(2-aminoethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 137008122
N-[(4-aminophenyl)methyl]-5,6-dimethyl-N-propan-2-ylpyrazin-2-amine
CID 114476642
N-[(4-aminophenyl)methyl]-N,6-di(propan-2-yl)pyrimidin-4-amine
CID 61239410
4-N-[(4-aminophenyl)methyl]-2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829117
4-[(2-aminophenyl)methyl-propylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136979289
4-[(3-amino-4-methylpentyl)-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136989504
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanethioamide
CID 136973145
4-[[2-(aminomethyl)phenyl]methyl-methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972739
N-[(4-aminophenyl)methyl]-5-bromo-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869637

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one (CID 136979223) is 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(N(Cc2ccc(N)cc2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is GZKGIZGTJCSYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-14-18-15(9-16(21)19-14)20(11(2)3)10-12-5-7-13(17)8-6-12/h5-9,11H,4,10,17H2,1-3H3,(H,18,19,21).
What are the key properties of 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 286.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methyl-propan-2-ylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).