2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

C9H11ClN4O2 — CID 114582481

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H11ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h2,5H,1,3-4,11H2,(H,12,15)
InChIKeyNAWKTTVYMCYGRD-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.22
Rot. Bonds4

About 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (PubChem CID 114582481) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
PubChem CID114582481
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H11ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h2,5H,1,3-4,11H2,(H,12,15)
InChIKeyNAWKTTVYMCYGRD-UHFFFAOYSA-N
XLogP-0.22
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide (CID 114582481) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is NAWKTTVYMCYGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-2-3-12-6(15)4-14-5-13-8(10)7(11)9(14)16/h2,5H,1,3-4,11H2,(H,12,15).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 242.67 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 114582481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).