4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one

C13H16N4O2 — CID 136979130

IUPAC4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccc(N)cc2)nc[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIKKRPQNVUJQVDO-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds4

About 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one

4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979130) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979130
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccc(N)cc2)nc[nH]c1=O
InChIInChI=1S/C13H16N4O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyIKKRPQNVUJQVDO-UHFFFAOYSA-N
XLogP1.53
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974912
5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974927
5-methoxy-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1H-pyrimidin-6-one
CID 136817732
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
5-amino-4-[1-(4-ethylphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974372
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136949437
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 136974783
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136979130) is 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)c2ccc(N)cc2)nc[nH]c1=O.
What is the InChIKey of 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is IKKRPQNVUJQVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 260.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).