1,1,3,3-tetradeuteriourea

CH4N2O — CID 2723980

IUPAC1,1,3,3-tetradeuteriourea
SMILES[2H]N([2H])C(=O)N([2H])[2H]
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD4
InChIKeyXSQUKJJJFZCRTK-JBISRTOLSA-N
MW64.08 g/mol
LogP-0.98
Rot. Bonds

About 1,1,3,3-tetradeuteriourea

1,1,3,3-tetradeuteriourea (PubChem CID 2723980) has the molecular formula CH4N2O and a molecular weight of 64.08 g/mol. Its IUPAC name is 1,1,3,3-tetradeuteriourea.

Molecular Properties

Compound Name1,1,3,3-tetradeuteriourea
PubChem CID2723980
Molecular FormulaCH4N2O
Molecular Weight64.08 g/mol
Exact Mass64.06
IUPAC Name1,1,3,3-tetradeuteriourea
SMILES[2H]N([2H])C(=O)N([2H])[2H]
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD4
InChIKeyXSQUKJJJFZCRTK-JBISRTOLSA-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 ≤ 50064.08
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetradeuteriourea?
The IUPAC name of 1,1,3,3-tetradeuteriourea (CID 2723980) is 1,1,3,3-tetradeuteriourea.
What is the SMILES notation for 1,1,3,3-tetradeuteriourea?
The canonical SMILES for 1,1,3,3-tetradeuteriourea is [2H]N([2H])C(=O)N([2H])[2H].
What is the InChIKey of 1,1,3,3-tetradeuteriourea?
The InChIKey is XSQUKJJJFZCRTK-JBISRTOLSA-N. The full InChI is InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)/i/hD4.
What are the key properties of 1,1,3,3-tetradeuteriourea?
1,1,3,3-tetradeuteriourea has a molecular weight of 64.08 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 1,1,3,3-tetradeuteriourea is sourced from PubChem (CID 2723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).