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

C10H11ClN4O3 — CID 114584525

IUPACN-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C10H11ClN4O3/c11-6-3-8(17)15(4-7(16)14-10(12)18)9(13-6)5-1-2-5/h3,5H,1-2,4H2,(H3,12,14,16,18)
InChIKeyOHJYESXIQBFROM-UHFFFAOYSA-N
MW270.68 g/mol
LogP-0.03
Rot. Bonds3

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

N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 114584525) has the molecular formula C10H11ClN4O3 and a molecular weight of 270.68 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID114584525
Molecular FormulaC10H11ClN4O3
Molecular Weight270.68 g/mol
Exact Mass270.05
IUPAC NameN-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O
InChIInChI=1S/C10H11ClN4O3/c11-6-3-8(17)15(4-7(16)14-10(12)18)9(13-6)5-1-2-5/h3,5H,1-2,4H2,(H3,12,14,16,18)
InChIKeyOHJYESXIQBFROM-UHFFFAOYSA-N
XLogP-0.03
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114584717
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 113604528
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 113604560
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 113604565
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 113604568
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
CID 113604571
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
CID 113604582
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113604583
N-carbamoyl-2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 113604592
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-propylacetamide
CID 113604633
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581769

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide (CID 114584525) is N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is NC(=O)NC(=O)Cn1c(C2CC2)nc(Cl)cc1=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is OHJYESXIQBFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3/c11-6-3-8(17)15(4-7(16)14-10(12)18)9(13-6)5-1-2-5/h3,5H,1-2,4H2,(H3,12,14,16,18).
What are the key properties of N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 270.68 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114584525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).