N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide

C15H25N3O — CID 18736022

IUPACN-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)(C)C)c1ncncc1CC
InChIInChI=1S/C15H25N3O/c1-6-8-18(13(19)9-15(3,4)5)14-12(7-2)10-16-11-17-14/h10-11H,6-9H2,1-5H3
InChIKeyYDQWOLFBTLEXOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds5

About N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide

N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide (PubChem CID 18736022) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide
PubChem CID18736022
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide
SMILESCCCN(C(=O)CC(C)(C)C)c1ncncc1CC
InChIInChI=1S/C15H25N3O/c1-6-8-18(13(19)9-15(3,4)5)14-12(7-2)10-16-11-17-14/h10-11H,6-9H2,1-5H3
InChIKeyYDQWOLFBTLEXOT-UHFFFAOYSA-N
XLogP3.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide?
The IUPAC name of N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide (CID 18736022) is N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide.
What is the SMILES notation for N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide?
The canonical SMILES for N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide is CCCN(C(=O)CC(C)(C)C)c1ncncc1CC.
What is the InChIKey of N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide?
The InChIKey is YDQWOLFBTLEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-8-18(13(19)9-15(3,4)5)14-12(7-2)10-16-11-17-14/h10-11H,6-9H2,1-5H3.
What are the key properties of N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide?
N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutanamide is sourced from PubChem (CID 18736022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).