N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

C11H16ClN3O2 — CID 114582105

IUPACN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-7(2)14-11(17)8(3)15-6-13-9(12)5-10(15)16/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyJZGJUALKWARSEC-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.37
Rot. Bonds4

About N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide

N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114582105) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114582105
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC NameN-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
SMILESCCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C11H16ClN3O2/c1-4-7(2)14-11(17)8(3)15-6-13-9(12)5-10(15)16/h5-8H,4H2,1-3H3,(H,14,17)
InChIKeyJZGJUALKWARSEC-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide (CID 114582105) is N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is CCC(C)NC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is JZGJUALKWARSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-4-7(2)14-11(17)8(3)15-6-13-9(12)5-10(15)16/h5-8H,4H2,1-3H3,(H,14,17).
What are the key properties of N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide?
N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 257.72 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114582105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).