4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one

C12H13N3O2 — CID 137277391

IUPAC4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)c1CCO
InChIInChI=1S/C12H13N3O2/c13-10-9(6-7-16)12(17)15-11(14-10)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H3,13,14,15,17)
InChIKeyGUPJBNJNVLHCKD-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.55
Rot. Bonds3

About 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one

4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 137277391) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID137277391
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccccc2)[nH]c(=O)c1CCO
InChIInChI=1S/C12H13N3O2/c13-10-9(6-7-16)12(17)15-11(14-10)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H3,13,14,15,17)
InChIKeyGUPJBNJNVLHCKD-UHFFFAOYSA-N
XLogP0.55
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
CID 137286206
5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one
CID 135740432
4-amino-2-(3,4-dihydroxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136938581
4-amino-2-(3-bromo-4-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136888703
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
5-fluoro-2-phenyl-4-(2-phenylethyl)-1H-pyrimidin-6-one
CID 136673208
5,13-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9,13-pentaene-7,11-dione
CID 135869738
3-amino-2-methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135702343
6,7-dihydroxy-2-phenyl-3H-quinazolin-4-one
CID 137014833
2-(4-anilinoanilino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612093
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
4-amino-2-(4-hydroxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778097

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one (CID 137277391) is 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one is Nc1nc(-c2ccccc2)[nH]c(=O)c1CCO.
What is the InChIKey of 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is GUPJBNJNVLHCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10-9(6-7-16)12(17)15-11(14-10)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H3,13,14,15,17).
What are the key properties of 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one?
4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 231.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-hydroxyethyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137277391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).