2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one

C8H14N2O2 — CID 139335770

IUPAC2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one
SMILESCC(C)N1C=CC(=O)N(C)C1O
InChIInChI=1S/C8H14N2O2/c1-6(2)10-5-4-7(11)9(3)8(10)12/h4-6,8,12H,1-3H3
InChIKeySNXGZWAGFXQIIK-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.04
Rot. Bonds1

About 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one

2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one (PubChem CID 139335770) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one
PubChem CID139335770
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one
SMILESCC(C)N1C=CC(=O)N(C)C1O
InChIInChI=1S/C8H14N2O2/c1-6(2)10-5-4-7(11)9(3)8(10)12/h4-6,8,12H,1-3H3
InChIKeySNXGZWAGFXQIIK-UHFFFAOYSA-N
XLogP-0.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one (CID 139335770) is 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one is CC(C)N1C=CC(=O)N(C)C1O.
What is the InChIKey of 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one?
The InChIKey is SNXGZWAGFXQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)10-5-4-7(11)9(3)8(10)12/h4-6,8,12H,1-3H3.
What are the key properties of 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one?
2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one has a molecular weight of 170.21 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1-propan-2-yl-2H-pyrimidin-4-one is sourced from PubChem (CID 139335770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).