N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide

C13H17Cl2N3O2 — CID 114582914

IUPACN-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H17Cl2N3O2/c14-11-12(15)16-8-18(13(11)20)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,17,19)
InChIKeyXUCVIJJFSLPPPV-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.39
Rot. Bonds3

About N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide

N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114582914) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
PubChem CID114582914
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)NC1CCCCCC1
InChIInChI=1S/C13H17Cl2N3O2/c14-11-12(15)16-8-18(13(11)20)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,17,19)
InChIKeyXUCVIJJFSLPPPV-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604291
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604307
N-cyclohexyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604326
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604350
N-cyclopentyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 113604357
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114582212
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114582484
5-Amino-6-chloro-3-cycloheptylpyrimidin-4-one
CID 114582619
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-cyclohexylacetamide
CID 114582650

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide (CID 114582914) is N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide is O=C(Cn1cnc(Cl)c(Cl)c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is XUCVIJJFSLPPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c14-11-12(15)16-8-18(13(11)20)7-10(19)17-9-5-3-1-2-4-6-9/h8-9H,1-7H2,(H,17,19).
What are the key properties of N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide?
N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114582914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).