2-propyl-1-pyrimidin-5-ylpentan-1-one

C12H18N2O — CID 114965876

IUPAC2-propyl-1-pyrimidin-5-ylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cncnc1
InChIInChI=1S/C12H18N2O/c1-3-5-10(6-4-2)12(15)11-7-13-9-14-8-11/h7-10H,3-6H2,1-2H3
InChIKeyGEGASSRCGWMKNM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.88
Rot. Bonds6

About 2-propyl-1-pyrimidin-5-ylpentan-1-one

2-propyl-1-pyrimidin-5-ylpentan-1-one (PubChem CID 114965876) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-propyl-1-pyrimidin-5-ylpentan-1-one.

Molecular Properties

Compound Name2-propyl-1-pyrimidin-5-ylpentan-1-one
PubChem CID114965876
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-propyl-1-pyrimidin-5-ylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cncnc1
InChIInChI=1S/C12H18N2O/c1-3-5-10(6-4-2)12(15)11-7-13-9-14-8-11/h7-10H,3-6H2,1-2H3
InChIKeyGEGASSRCGWMKNM-UHFFFAOYSA-N
XLogP2.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-pyrimidin-5-ylpentan-1-one?
The IUPAC name of 2-propyl-1-pyrimidin-5-ylpentan-1-one (CID 114965876) is 2-propyl-1-pyrimidin-5-ylpentan-1-one.
What is the SMILES notation for 2-propyl-1-pyrimidin-5-ylpentan-1-one?
The canonical SMILES for 2-propyl-1-pyrimidin-5-ylpentan-1-one is CCCC(CCC)C(=O)c1cncnc1.
What is the InChIKey of 2-propyl-1-pyrimidin-5-ylpentan-1-one?
The InChIKey is GEGASSRCGWMKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-10(6-4-2)12(15)11-7-13-9-14-8-11/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-propyl-1-pyrimidin-5-ylpentan-1-one?
2-propyl-1-pyrimidin-5-ylpentan-1-one has a molecular weight of 206.29 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-pyrimidin-5-ylpentan-1-one is sourced from PubChem (CID 114965876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).