N-(5-butylpyrimidin-4-yl)-N-propylpropanamide

C14H23N3O — CID 142122185

IUPACN-(5-butylpyrimidin-4-yl)-N-propylpropanamide
SMILESCCCCc1cncnc1N(CCC)C(=O)CC
InChIInChI=1S/C14H23N3O/c1-4-7-8-12-10-15-11-16-14(12)17(9-5-2)13(18)6-3/h10-11H,4-9H2,1-3H3
InChIKeyWATCIJAFWAHVPJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.97
Rot. Bonds7

About N-(5-butylpyrimidin-4-yl)-N-propylpropanamide

N-(5-butylpyrimidin-4-yl)-N-propylpropanamide (PubChem CID 142122185) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(5-butylpyrimidin-4-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(5-butylpyrimidin-4-yl)-N-propylpropanamide
PubChem CID142122185
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(5-butylpyrimidin-4-yl)-N-propylpropanamide
SMILESCCCCc1cncnc1N(CCC)C(=O)CC
InChIInChI=1S/C14H23N3O/c1-4-7-8-12-10-15-11-16-14(12)17(9-5-2)13(18)6-3/h10-11H,4-9H2,1-3H3
InChIKeyWATCIJAFWAHVPJ-UHFFFAOYSA-N
XLogP2.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-butylpyrimidin-4-yl)-N-propylpropanamide?
The IUPAC name of N-(5-butylpyrimidin-4-yl)-N-propylpropanamide (CID 142122185) is N-(5-butylpyrimidin-4-yl)-N-propylpropanamide.
What is the SMILES notation for N-(5-butylpyrimidin-4-yl)-N-propylpropanamide?
The canonical SMILES for N-(5-butylpyrimidin-4-yl)-N-propylpropanamide is CCCCc1cncnc1N(CCC)C(=O)CC.
What is the InChIKey of N-(5-butylpyrimidin-4-yl)-N-propylpropanamide?
The InChIKey is WATCIJAFWAHVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-7-8-12-10-15-11-16-14(12)17(9-5-2)13(18)6-3/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(5-butylpyrimidin-4-yl)-N-propylpropanamide?
N-(5-butylpyrimidin-4-yl)-N-propylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butylpyrimidin-4-yl)-N-propylpropanamide is sourced from PubChem (CID 142122185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).