2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C13H14ClN3O2 — CID 79438945

IUPAC2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(N)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,15)12-16-10(18)9(11(19)17-12)7-5-3-4-6-8(7)14/h3-6H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyGJSURYVAWNKYAI-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.99
Rot. Bonds2

About 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438945) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438945
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC(C)(N)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C13H14ClN3O2/c1-13(2,15)12-16-10(18)9(11(19)17-12)7-5-3-4-6-8(7)14/h3-6H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyGJSURYVAWNKYAI-UHFFFAOYSA-N
XLogP1.99
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Chlorobenzyl)-2,6-dimethyl-4-pyrimidinol
CID 135475132
7-chloro-3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
CID 135838133
3-(3-chlorophenyl)-N-[2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-N-methylpropanamide
CID 136570853
2-Chloro-5-fluoro-N-(4,6-dihydroxy-2-methyl-pyrimidin-5-yl)-benzamide
CID 67177117
5-(4-chlorophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 339857
2-[(2-chloro-4-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 55215664
2-(2-chloro-4-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216632
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 55217596
2-(2-chloro-4-fluorophenyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611432
2-[(2-chloro-6-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611595
2-[(2-chloro-4-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612286
2-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63612456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438945) is 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is CC(C)(N)c1nc(O)c(-c2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GJSURYVAWNKYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-13(2,15)12-16-10(18)9(11(19)17-12)7-5-3-4-6-8(7)14/h3-6H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 279.73 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).