2-butyl-4-propyl-1H-pyrimidin-6-one

C11H18N2O — CID 135827999

IUPAC2-butyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCC)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-3-5-7-10-12-9(6-4-2)8-11(14)13-10/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyQZMYGUNCLTYWEP-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.07
Rot. Bonds5

About 2-butyl-4-propyl-1H-pyrimidin-6-one

2-butyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 135827999) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-butyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-4-propyl-1H-pyrimidin-6-one
PubChem CID135827999
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-butyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCCc1nc(CCC)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O/c1-3-5-7-10-12-9(6-4-2)8-11(14)13-10/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyQZMYGUNCLTYWEP-UHFFFAOYSA-N
XLogP2.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-4-propyl-1H-pyrimidin-6-one (CID 135827999) is 2-butyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-4-propyl-1H-pyrimidin-6-one is CCCCc1nc(CCC)cc(=O)[nH]1.
What is the InChIKey of 2-butyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is QZMYGUNCLTYWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-7-10-12-9(6-4-2)8-11(14)13-10/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-butyl-4-propyl-1H-pyrimidin-6-one?
2-butyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135827999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).