N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide

C10H11Cl2N3O2 — CID 114583094

IUPACN-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(Cl)c(Cl)c1=O)C1CC1
InChIInChI=1S/C10H11Cl2N3O2/c1-14(6-2-3-6)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,2-4H2,1H3
InChIKeyNPSPEUJZVPKRCJ-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.17
Rot. Bonds3

About N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide

N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 114583094) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
PubChem CID114583094
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide
SMILESCN(C(=O)Cn1cnc(Cl)c(Cl)c1=O)C1CC1
InChIInChI=1S/C10H11Cl2N3O2/c1-14(6-2-3-6)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,2-4H2,1H3
InChIKeyNPSPEUJZVPKRCJ-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-Dichloro-3-pentan-2-ylpyrimidin-4-one
CID 107885728
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-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113604337
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604360
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604380
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425
2-(4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582057
2-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582097
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114582160

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide (CID 114583094) is N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide is CN(C(=O)Cn1cnc(Cl)c(Cl)c1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is NPSPEUJZVPKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-14(6-2-3-6)7(16)4-15-5-13-9(12)8(11)10(15)17/h5-6H,2-4H2,1H3.
What are the key properties of N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide?
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 276.12 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 114583094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).