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

C13H14ClN3O2 — CID 136974912

IUPAC4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccc(Cl)cc2)nc[nH]c1=O
InChIInChI=1S/C13H14ClN3O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyKUDKNXNXWTXFKB-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.61
Rot. Bonds4

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

4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136974912) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136974912
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccc(Cl)cc2)nc[nH]c1=O
InChIInChI=1S/C13H14ClN3O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyKUDKNXNXWTXFKB-UHFFFAOYSA-N
XLogP2.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-aminophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136979130
4-[1-(5-chlorothiophen-2-yl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974800
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-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
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-[1-(4-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974907
4-[(2-hydroxy-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975601
4-[(2-amino-1-phenylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008394
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one (CID 136974912) is 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one is COc1c(NC(C)c2ccc(Cl)cc2)nc[nH]c1=O.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KUDKNXNXWTXFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8(9-3-5-10(14)6-4-9)17-12-11(19-2)13(18)16-7-15-12/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one?
4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 279.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136974912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).