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

C12H13N3O2 — CID 136973640

IUPAC4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C12H13N3O2/c1-17-10-4-2-9(3-5-10)7-13-11-6-12(16)15-8-14-11/h2-6,8H,7H2,1H3,(H2,13,14,15,16)
InChIKeyQVOCTICDVHALAT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.39
Rot. Bonds4

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

4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136973640) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136973640
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C12H13N3O2/c1-17-10-4-2-9(3-5-10)7-13-11-6-12(16)15-8-14-11/h2-6,8H,7H2,1H3,(H2,13,14,15,16)
InChIKeyQVOCTICDVHALAT-UHFFFAOYSA-N
XLogP1.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(hydroxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136826656
4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 137016530
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
4-(2,3-dihydro-1H-isoindol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136743847
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
4-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 103241207
4-(2H-triazol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 137272886
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
2-N-[(4-methoxyphenyl)methyl]-5-methylpyridine-2,4-diamine
CID 83265796
3-bromo-N-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-7-amine
CID 164934777
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860201

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (CID 136973640) is 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is COc1ccc(CNc2cc(=O)[nH]cn2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is QVOCTICDVHALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-10-4-2-9(3-5-10)7-13-11-6-12(16)15-8-14-11/h2-6,8H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136973640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).