4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

C13H15N3O2 — CID 137016530

IUPAC4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)Nc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(10-3-5-11(18-2)6-4-10)16-12-7-13(17)15-8-14-12/h3-9H,1-2H3,(H2,14,15,16,17)
InChIKeyAEZRQXMLYQITKR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.95
Rot. Bonds4

About 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one

4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 137016530) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
PubChem CID137016530
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(C(C)Nc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(10-3-5-11(18-2)6-4-10)16-12-7-13(17)15-8-14-12/h3-9H,1-2H3,(H2,14,15,16,17)
InChIKeyAEZRQXMLYQITKR-UHFFFAOYSA-N
XLogP1.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974907
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
N-[1-(4-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 62047830
4-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780123
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
CID 43826105
4-(methoxymethyl)-2-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136780116
4-N-[1-(4-methoxyphenyl)ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80851656
N-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147299
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
2-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyridin-4-amine
CID 113368267
4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136956697

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one (CID 137016530) is 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is COc1ccc(C(C)Nc2cc(=O)[nH]cn2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is AEZRQXMLYQITKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(10-3-5-11(18-2)6-4-10)16-12-7-13(17)15-8-14-12/h3-9H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one?
4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).