N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide

C12H19N3O2 — CID 154512190

IUPACN-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-5-9(6-4-2)11(16)14-10-7-8-13-12(17)15-10/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyRCYVGADILVRLHD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.92
Rot. Bonds6

About N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide

N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide (PubChem CID 154512190) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
PubChem CID154512190
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1ccnc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-5-9(6-4-2)11(16)14-10-7-8-13-12(17)15-10/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyRCYVGADILVRLHD-UHFFFAOYSA-N
XLogP1.92
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide?
The IUPAC name of N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide (CID 154512190) is N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide.
What is the SMILES notation for N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide?
The canonical SMILES for N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1ccnc(=O)[nH]1.
What is the InChIKey of N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide?
The InChIKey is RCYVGADILVRLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-5-9(6-4-2)11(16)14-10-7-8-13-12(17)15-10/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide?
N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide has a molecular weight of 237.30 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide is sourced from PubChem (CID 154512190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).