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

C8H11ClN4O2 — CID 114582541

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H11ClN4O2/c1-2-11-5(14)3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14)
InChIKeyOMMRBNFZDYEVDJ-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.38
Rot. Bonds3

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide (PubChem CID 114582541) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
PubChem CID114582541
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
SMILESCCNC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H11ClN4O2/c1-2-11-5(14)3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14)
InChIKeyOMMRBNFZDYEVDJ-UHFFFAOYSA-N
XLogP-0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide (CID 114582541) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide is CCNC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
The InChIKey is OMMRBNFZDYEVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-2-11-5(14)3-13-4-12-7(9)6(10)8(13)15/h4H,2-3,10H2,1H3,(H,11,14).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide has a molecular weight of 230.66 g/mol, XLogP of -0.38, 3 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-ethylacetamide is sourced from PubChem (CID 114582541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).