2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C11H18N2O2 — CID 63611287

IUPAC2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(C)CC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-8-10(14)12-9(7(3)5-2)13-11(8)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyLHHDOFSLGQZOGW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.94
Rot. Bonds4

About 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63611287) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63611287
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C(C)CC)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-8-10(14)12-9(7(3)5-2)13-11(8)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyLHHDOFSLGQZOGW-UHFFFAOYSA-N
XLogP1.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63611287) is 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C(C)CC)[nH]c1=O.
What is the InChIKey of 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is LHHDOFSLGQZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-8-10(14)12-9(7(3)5-2)13-11(8)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 210.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63611287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).