deuteriourea

CH4N2O — CID 54486461

IUPACdeuteriourea
SMILES[2H]NC(N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD
InChIKeyXSQUKJJJFZCRTK-DYCDLGHISA-N
MW61.06 g/mol
LogP-0.98
Rot. Bonds

About deuteriourea

deuteriourea (PubChem CID 54486461) has the molecular formula CH4N2O and a molecular weight of 61.06 g/mol. Its IUPAC name is deuteriourea.

Molecular Properties

Compound Namedeuteriourea
PubChem CID54486461
Molecular FormulaCH4N2O
Molecular Weight61.06 g/mol
Exact Mass61.04
IUPAC Namedeuteriourea
SMILES[2H]NC(N)=O
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD
InChIKeyXSQUKJJJFZCRTK-DYCDLGHISA-N
XLogP-0.98
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.06
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea
CID 1176
Urea C-13
CID 636363
Urea C-14
CID 11457650
Urea hydrochloride
CID 101721
(2H4)Urea
CID 2723980
Urea N-15
CID 10197611
Urea-13C-15N2
CID 16213489
Urea hydrobromide
CID 53411231
Uronium
CID 59101662
Urea mono N-15
CID 131953165
diamino(111C)methanone
CID 451202
Copper urea
CID 21657412

Frequently Asked Questions

What is the IUPAC name of deuteriourea?
The IUPAC name of deuteriourea (CID 54486461) is deuteriourea.
What is the SMILES notation for deuteriourea?
The canonical SMILES for deuteriourea is [2H]NC(N)=O.
What is the InChIKey of deuteriourea?
The InChIKey is XSQUKJJJFZCRTK-DYCDLGHISA-N. The full InChI is InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD.
What are the key properties of deuteriourea?
deuteriourea has a molecular weight of 61.06 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriourea is sourced from PubChem (CID 54486461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).