N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide

C12H17N3O2 — CID 121016738

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C12H17N3O2/c1-2-11(16)13-5-6-15-8-14-10(7-12(15)17)9-3-4-9/h7-9H,2-6H2,1H3,(H,13,16)
InChIKeyCSLHSUFEBZCAAK-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121016738) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121016738
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cnc(C2CC2)cc1=O
InChIInChI=1S/C12H17N3O2/c1-2-11(16)13-5-6-15-8-14-10(7-12(15)17)9-3-4-9/h7-9H,2-6H2,1H3,(H,13,16)
InChIKeyCSLHSUFEBZCAAK-UHFFFAOYSA-N
XLogP0.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121016738) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCC(=O)NCCn1cnc(C2CC2)cc1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is CSLHSUFEBZCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-11(16)13-5-6-15-8-14-10(7-12(15)17)9-3-4-9/h7-9H,2-6H2,1H3,(H,13,16).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121016738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).