4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one

C12H20N2O2 — CID 63612959

IUPAC4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCC(C)C)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-4-5-9-11(15)13-10(14-12(9)16)7-6-8(2)3/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyDGYFHFWSKJFABU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.02
Rot. Bonds5

About 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one

4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 63612959) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID63612959
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCC(C)C)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-4-5-9-11(15)13-10(14-12(9)16)7-6-8(2)3/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyDGYFHFWSKJFABU-UHFFFAOYSA-N
XLogP2.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-amino-2-methyl-5-propyl-
CID 135854961
5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
4-hydroxy-5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63612957
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63613631
4-hydroxy-5-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954409
4-hydroxy-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954585
2-(3,3-difluorocyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 114215369
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)methyl]-2-methylpyrimidine-4,6-diol
CID 805568
2-cyclopropyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 10171285
6-Hydroxy-5-methyl-2-(2-methylcyclopropyl)pyrimidin-4(3H)-one
CID 10171286
2-cyclobutyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 10192604
2-Cyclopentyl-6-hydroxy-5-methyl-4(3h)-pyrimidinone
CID 10285855

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one (CID 63612959) is 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CCC(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is DGYFHFWSKJFABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-5-9-11(15)13-10(14-12(9)16)7-6-8(2)3/h8H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 224.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(3-methylbutyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).