carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid

C6H8N4O5 — CID 89456624

IUPACcarbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid
SMILESNC(=O)O.O=C(O)Nc1ncc(O)cn1
InChIInChI=1S/C5H5N3O3.CH3NO2/c9-3-1-6-4(7-2-3)8-5(10)11;2-1(3)4/h1-2,9H,(H,10,11)(H,6,7,8);2H2,(H,3,4)
InChIKeyMVWBOSANAKFYCB-UHFFFAOYSA-N
MW216.15 g/mol
LogP-0.10
Rot. Bonds1

About carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid

carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid (PubChem CID 89456624) has the molecular formula C6H8N4O5 and a molecular weight of 216.15 g/mol. Its IUPAC name is carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid.

Molecular Properties

Compound Namecarbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid
PubChem CID89456624
Molecular FormulaC6H8N4O5
Molecular Weight216.15 g/mol
Exact Mass216.05
IUPAC Namecarbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid
SMILESNC(=O)O.O=C(O)Nc1ncc(O)cn1
InChIInChI=1S/C5H5N3O3.CH3NO2/c9-3-1-6-4(7-2-3)8-5(10)11;2-1(3)4/h1-2,9H,(H,10,11)(H,6,7,8);2H2,(H,3,4)
InChIKeyMVWBOSANAKFYCB-UHFFFAOYSA-N
XLogP-0.10
TPSA158.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid?
The IUPAC name of carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid (CID 89456624) is carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid.
What is the SMILES notation for carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid?
The canonical SMILES for carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid is NC(=O)O.O=C(O)Nc1ncc(O)cn1.
What is the InChIKey of carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid?
The InChIKey is MVWBOSANAKFYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3.CH3NO2/c9-3-1-6-4(7-2-3)8-5(10)11;2-1(3)4/h1-2,9H,(H,10,11)(H,6,7,8);2H2,(H,3,4).
What are the key properties of carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid?
carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid has a molecular weight of 216.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;(5-hydroxypyrimidin-2-yl)carbamic acid is sourced from PubChem (CID 89456624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).