2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one

C7H12N2O2 — CID 123660651

IUPAC2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
SMILESCC(C)N1C=CC(=O)NC1O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-4-3-6(10)8-7(9)11/h3-5,7,11H,1-2H3,(H,8,10)
InChIKeyZEQSNZWJMQQUEG-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.38
Rot. Bonds1

About 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one

2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one (PubChem CID 123660651) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
PubChem CID123660651
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one
SMILESCC(C)N1C=CC(=O)NC1O
InChIInChI=1S/C7H12N2O2/c1-5(2)9-4-3-6(10)8-7(9)11/h3-5,7,11H,1-2H3,(H,8,10)
InChIKeyZEQSNZWJMQQUEG-UHFFFAOYSA-N
XLogP-0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one (CID 123660651) is 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one is CC(C)N1C=CC(=O)NC1O.
What is the InChIKey of 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one?
The InChIKey is ZEQSNZWJMQQUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)9-4-3-6(10)8-7(9)11/h3-5,7,11H,1-2H3,(H,8,10).
What are the key properties of 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one?
2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one has a molecular weight of 156.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-propan-2-yl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 123660651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).