2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide

C9H10ClN3O2 — CID 114582410

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CC1
InChIInChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyXOMDZQIVHLTFME-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.18
Rot. Bonds3

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

2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (PubChem CID 114582410) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
PubChem CID114582410
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESO=C(Cn1cnc(Cl)cc1=O)NC1CC1
InChIInChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14)
InChIKeyXOMDZQIVHLTFME-UHFFFAOYSA-N
XLogP0.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114582323
N-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1(6H)-yl)acetamide
CID 45534907
3-[2-(Cyclopropylamino)ethyl]pyrimidin-4-one
CID 63769877
N-cyclopropyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66310134
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604293
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604467
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (CID 114582410) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is O=C(Cn1cnc(Cl)cc1=O)NC1CC1.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The InChIKey is XOMDZQIVHLTFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-3-9(15)13(5-11-7)4-8(14)12-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,14).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide has a molecular weight of 227.65 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 114582410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).