2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one

C13H11N3O — CID 135465385

IUPAC2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one
SMILESC#CCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H11N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h1,3-5,7-8H,6H2,(H3,14,15,16,17)
InChIKeyUDKYNDDCISEVLT-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.19
Rot. Bonds2

About 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one

2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one (PubChem CID 135465385) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one
PubChem CID135465385
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one
SMILESC#CCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C13H11N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h1,3-5,7-8H,6H2,(H3,14,15,16,17)
InChIKeyUDKYNDDCISEVLT-UHFFFAOYSA-N
XLogP1.19
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Bropirimine
CID 135413497
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
3-Amino-5,6-dihydrobenzo[f]quinazolin-1(2H)-one
CID 135838221
2,6-Diamino-5-phenylpyrimidin-4(1H)-one
CID 135448367
2-Amino-5-chloro-6-phenylpyrimidin-4(3H)-one
CID 135480622
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-(benzylamino)-6-methyl-5-(3-methylbutyl)pyrimidin-4(3H)-one
CID 135448707
2-(benzylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol
CID 135513632
2-(benzylamino)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135417545

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one (CID 135465385) is 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one is C#CCc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The InChIKey is UDKYNDDCISEVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-2-6-10-11(9-7-4-3-5-8-9)15-13(14)16-12(10)17/h1,3-5,7-8H,6H2,(H3,14,15,16,17).
What are the key properties of 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).