4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one

C9H14N2O2 — CID 63612776

IUPAC4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5(2)4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRMPZAHQCILUYBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.98
Rot. Bonds2

About 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 63612776) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID63612776
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CC(C)C)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-5(2)4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13)
InChIKeyRMPZAHQCILUYBD-UHFFFAOYSA-N
XLogP0.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one (CID 63612776) is 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one is Cc1c(O)nc(CC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is RMPZAHQCILUYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(2)4-7-10-8(12)6(3)9(13)11-7/h5H,4H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 63612776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).