4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one

C12H13N3O2 — CID 154511465

IUPAC4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one
SMILESCC(=O)C1(N)NC(=O)NC=C1c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8(16)12(13)10(7-14-11(17)15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H2,14,15,17)
InChIKeyUEBBTVMYBGACBZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.58
Rot. Bonds2

About 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one

4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one (PubChem CID 154511465) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one
PubChem CID154511465
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one
SMILESCC(=O)C1(N)NC(=O)NC=C1c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-8(16)12(13)10(7-14-11(17)15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H2,14,15,17)
InChIKeyUEBBTVMYBGACBZ-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-4-benzoyl-2-oxo-1,3-dihydropyrimidin-5-yl)prop-2-enoic acid
CID 154511468
(1R)-1-amino-2-phenylcycloprop-2-ene-1-carboxylic acid
CID 11615264
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
4-amino-4-phenyl-5-(trifluoromethyl)-1,3-dihydropyrimidin-2-one
CID 157092328
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
1-[1-(2-hydroxypropan-2-yl)-4-phenylcyclohexa-2,4-dien-1-yl]ethanone
CID 69279440
methyl (2S)-2-(4-fluorophenyl)-5-oxo-3-phenylfuran-2-carboxylate
CID 135000056
6-methoxy-6-methyl-5-phenylcyclohexa-2,4-diene-1-carboxamide
CID 66715910
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
(1S)-2-methyl-1,3-diphenylcycloprop-2-ene-1-carboxylic acid
CID 71418523
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one (CID 154511465) is 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one is CC(=O)C1(N)NC(=O)NC=C1c1ccccc1.
What is the InChIKey of 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one?
The InChIKey is UEBBTVMYBGACBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(16)12(13)10(7-14-11(17)15-12)9-5-3-2-4-6-9/h2-7H,13H2,1H3,(H2,14,15,17).
What are the key properties of 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one?
4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one has a molecular weight of 231.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-amino-5-phenyl-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 154511465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).