6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one

C12H13N3O — CID 53390168

IUPAC6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one
SMILESCc1ccc(CNc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)8-14-11-6-7-13-12(16)15-11/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyVTSRUHRNVPTOOI-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.69
Rot. Bonds3

About 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one

6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one (PubChem CID 53390168) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one
PubChem CID53390168
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one
SMILESCc1ccc(CNc2ccnc(=O)[nH]2)cc1
InChIInChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)8-14-11-6-7-13-12(16)15-11/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyVTSRUHRNVPTOOI-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one (CID 53390168) is 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one is Cc1ccc(CNc2ccnc(=O)[nH]2)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one?
The InChIKey is VTSRUHRNVPTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)8-14-11-6-7-13-12(16)15-11/h2-7H,8H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one?
6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methylamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 53390168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).