[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid

C6H6ClN5O4 — CID 146463230

IUPAC[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid
SMILESNc1nc(NC(=O)O)c(Cl)c(NC(=O)O)n1
InChIInChI=1S/C6H6ClN5O4/c7-1-2(11-5(13)14)9-4(8)10-3(1)12-6(15)16/h(H,13,14)(H,15,16)(H4,8,9,10,11,12)
InChIKeyCXHNVTNPMLEIPC-UHFFFAOYSA-N
MW247.60 g/mol
LogP0.89
Rot. Bonds2

About [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid

[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid (PubChem CID 146463230) has the molecular formula C6H6ClN5O4 and a molecular weight of 247.60 g/mol. Its IUPAC name is [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid
PubChem CID146463230
Molecular FormulaC6H6ClN5O4
Molecular Weight247.60 g/mol
Exact Mass247.01
IUPAC Name[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid
SMILESNc1nc(NC(=O)O)c(Cl)c(NC(=O)O)n1
InChIInChI=1S/C6H6ClN5O4/c7-1-2(11-5(13)14)9-4(8)10-3(1)12-6(15)16/h(H,13,14)(H,15,16)(H4,8,9,10,11,12)
InChIKeyCXHNVTNPMLEIPC-UHFFFAOYSA-N
XLogP0.89
TPSA150.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.60
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid?
The IUPAC name of [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid (CID 146463230) is [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid.
What is the SMILES notation for [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid?
The canonical SMILES for [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid is Nc1nc(NC(=O)O)c(Cl)c(NC(=O)O)n1.
What is the InChIKey of [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid?
The InChIKey is CXHNVTNPMLEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5O4/c7-1-2(11-5(13)14)9-4(8)10-3(1)12-6(15)16/h(H,13,14)(H,15,16)(H4,8,9,10,11,12).
What are the key properties of [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid?
[2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid has a molecular weight of 247.60 g/mol, XLogP of 0.89, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(carboxyamino)-5-chloropyrimidin-4-yl]carbamic acid is sourced from PubChem (CID 146463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).