N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide

C12H19N3O — CID 71109501

IUPACN-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(CCC(=O)NCC)n1
InChIInChI=1S/C12H19N3O/c1-3-5-10-8-9-14-11(15-10)6-7-12(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyHBRWSVVYFIXUKF-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.50
Rot. Bonds6

About N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide

N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide (PubChem CID 71109501) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
PubChem CID71109501
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
SMILESCCCc1ccnc(CCC(=O)NCC)n1
InChIInChI=1S/C12H19N3O/c1-3-5-10-8-9-14-11(15-10)6-7-12(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16)
InChIKeyHBRWSVVYFIXUKF-UHFFFAOYSA-N
XLogP1.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide?
The IUPAC name of N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide (CID 71109501) is N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide?
The canonical SMILES for N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide is CCCc1ccnc(CCC(=O)NCC)n1.
What is the InChIKey of N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide?
The InChIKey is HBRWSVVYFIXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-10-8-9-14-11(15-10)6-7-12(16)13-4-2/h8-9H,3-7H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide?
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 71109501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).