2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide

C9H10ClN3O2 — CID 114584626

IUPAC2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C9H10ClN3O2/c10-6-3-8(15)13(4-7(11)14)9(12-6)5-1-2-5/h3,5H,1-2,4H2,(H2,11,14)
InChIKeyZTTFOTAMFIWPLU-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.26
Rot. Bonds3

About 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114584626) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114584626
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C9H10ClN3O2/c10-6-3-8(15)13(4-7(11)14)9(12-6)5-1-2-5/h3,5H,1-2,4H2,(H2,11,14)
InChIKeyZTTFOTAMFIWPLU-UHFFFAOYSA-N
XLogP0.26
TPSA77.98 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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (CID 114584626) is 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is ZTTFOTAMFIWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-6-3-8(15)13(4-7(11)14)9(12-6)5-1-2-5/h3,5H,1-2,4H2,(H2,11,14).
What are the key properties of 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 227.65 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114584626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).