2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide

C11H17N3O2 — CID 131703148

IUPAC2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-6-8-14-7-4-5-13-10(14)16/h4-5,7H,6,8H2,1-3H3,(H,12,15)
InChIKeyCFJALBLPABMYRF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds3

About 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide (PubChem CID 131703148) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide
PubChem CID131703148
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1cccnc1=O
InChIInChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-6-8-14-7-4-5-13-10(14)16/h4-5,7H,6,8H2,1-3H3,(H,12,15)
InChIKeyCFJALBLPABMYRF-UHFFFAOYSA-N
XLogP0.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide (CID 131703148) is 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCCn1cccnc1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide?
The InChIKey is CFJALBLPABMYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)9(15)12-6-8-14-7-4-5-13-10(14)16/h4-5,7H,6,8H2,1-3H3,(H,12,15).
What are the key properties of 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide has a molecular weight of 223.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 131703148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).