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

C7H8ClN5O3 — CID 114582479

IUPAC2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H8ClN5O3/c8-5-4(9)6(15)13(2-11-5)1-3(14)12-7(10)16/h2H,1,9H2,(H3,10,12,14,16)
InChIKeyMGEXZWVGHSUGRV-UHFFFAOYSA-N
MW245.63 g/mol
LogP-1.33
Rot. Bonds2

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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide (PubChem CID 114582479) has the molecular formula C7H8ClN5O3 and a molecular weight of 245.63 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide
PubChem CID114582479
Molecular FormulaC7H8ClN5O3
Molecular Weight245.63 g/mol
Exact Mass245.03
IUPAC Name2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide
SMILESNC(=O)NC(=O)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C7H8ClN5O3/c8-5-4(9)6(15)13(2-11-5)1-3(14)12-7(10)16/h2H,1,9H2,(H3,10,12,14,16)
InChIKeyMGEXZWVGHSUGRV-UHFFFAOYSA-N
XLogP-1.33
TPSA133.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide?
The IUPAC name of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide (CID 114582479) is 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide.
What is the SMILES notation for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide?
The canonical SMILES for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide is NC(=O)NC(=O)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide?
The InChIKey is MGEXZWVGHSUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O3/c8-5-4(9)6(15)13(2-11-5)1-3(14)12-7(10)16/h2H,1,9H2,(H3,10,12,14,16).
What are the key properties of 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide?
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide has a molecular weight of 245.63 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-carbamoylacetamide is sourced from PubChem (CID 114582479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).