N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

C12H15Cl2N3O2 — CID 114583143

IUPACN-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H15Cl2N3O2/c1-7(11(18)16-8-4-2-3-5-8)17-6-15-10(14)9(13)12(17)19/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyHSLQLAQLYMYDPL-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.17
Rot. Bonds3

About N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide

N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114583143) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
PubChem CID114583143
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC NameN-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1)n1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C12H15Cl2N3O2/c1-7(11(18)16-8-4-2-3-5-8)17-6-15-10(14)9(13)12(17)19/h6-8H,2-5H2,1H3,(H,16,18)
InChIKeyHSLQLAQLYMYDPL-UHFFFAOYSA-N
XLogP2.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604170
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopentylpropanamide
CID 113604279
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604300
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
5,6-Dichloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604312
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604332
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide (CID 114583143) is N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is CC(C(=O)NC1CCCC1)n1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is HSLQLAQLYMYDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-7(11(18)16-8-4-2-3-5-8)17-6-15-10(14)9(13)12(17)19/h6-8H,2-5H2,1H3,(H,16,18).
What are the key properties of N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide?
N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 304.18 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114583143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).