N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

C10H15N3O2 — CID 121121017

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cncc(C)c1=O
InChIInChI=1S/C10H15N3O2/c1-3-9(14)12-4-5-13-7-11-6-8(2)10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWZZHNNKMVJNSPX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.08
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 121121017) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID121121017
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1cncc(C)c1=O
InChIInChI=1S/C10H15N3O2/c1-3-9(14)12-4-5-13-7-11-6-8(2)10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyWZZHNNKMVJNSPX-UHFFFAOYSA-N
XLogP0.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide (CID 121121017) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is CCC(=O)NCCn1cncc(C)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is WZZHNNKMVJNSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-9(14)12-4-5-13-7-11-6-8(2)10(13)15/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 209.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 121121017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).