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

C12H14N4O — CID 136989527

IUPAC4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-8-15-11(6-12(17)16-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOIRUOGXKYJQMKK-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds3

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

4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136989527) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136989527
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCc2ccc(N)cc2)cc(=O)[nH]1
InChIInChI=1S/C12H14N4O/c1-8-15-11(6-12(17)16-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOIRUOGXKYJQMKK-UHFFFAOYSA-N
XLogP1.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136974643
4-[(3,4-dimethoxyphenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974051
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
2-methyl-4-(1,2-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136937279
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136955912
2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
4-[(2-bromo-5-fluorophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136974427
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 137015526
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955955
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136989527) is 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCc2ccc(N)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OIRUOGXKYJQMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-15-11(6-12(17)16-8)14-7-9-2-4-10(13)5-3-9/h2-6H,7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminophenyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136989527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).