2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one

C12H16N4O — CID 22426110

IUPAC2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(C2CC(=O)NC(N)=N2)cc1
InChIInChI=1S/C12H16N4O/c1-16(2)9-5-3-8(4-6-9)10-7-11(17)15-12(13)14-10/h3-6,10H,7H2,1-2H3,(H3,13,14,15,17)
InChIKeyNPWXPHBVSGSTBB-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.63
Rot. Bonds2

About 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one

2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 22426110) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID22426110
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one
SMILESCN(C)c1ccc(C2CC(=O)NC(N)=N2)cc1
InChIInChI=1S/C12H16N4O/c1-16(2)9-5-3-8(4-6-9)10-7-11(17)15-12(13)14-10/h3-6,10H,7H2,1-2H3,(H3,13,14,15,17)
InChIKeyNPWXPHBVSGSTBB-UHFFFAOYSA-N
XLogP0.63
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one (CID 22426110) is 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one is CN(C)c1ccc(C2CC(=O)NC(N)=N2)cc1.
What is the InChIKey of 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is NPWXPHBVSGSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16(2)9-5-3-8(4-6-9)10-7-11(17)15-12(13)14-10/h3-6,10H,7H2,1-2H3,(H3,13,14,15,17).
What are the key properties of 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(dimethylamino)phenyl]-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 22426110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).