5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one

C14H17N3O2 — CID 136974927

IUPAC5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccccc2C)nc[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-6-4-5-7-11(9)10(2)17-13-12(19-3)14(18)16-8-15-13/h4-8,10H,1-3H3,(H2,15,16,17,18)
InChIKeyNBDWUIAPRBYLBH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.26
Rot. Bonds4

About 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one

5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136974927) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136974927
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1c(NC(C)c2ccccc2C)nc[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-9-6-4-5-7-11(9)10(2)17-13-12(19-3)14(18)16-8-15-13/h4-8,10H,1-3H3,(H2,15,16,17,18)
InChIKeyNBDWUIAPRBYLBH-UHFFFAOYSA-N
XLogP2.26
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.26
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-(4-chlorophenyl)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136974912
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-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
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
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136972381
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975643
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974899
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136977320

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one (CID 136974927) is 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one is COc1c(NC(C)c2ccccc2C)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is NBDWUIAPRBYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-6-4-5-7-11(9)10(2)17-13-12(19-3)14(18)16-8-15-13/h4-8,10H,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one?
5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[1-(2-methylphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).