1,1,3,3-tetramethylurea;urea

C6H16N4O2 — CID 158796669

IUPAC1,1,3,3-tetramethylurea;urea
SMILESCN(C)C(=O)N(C)C.NC(N)=O
InChIInChI=1S/C5H12N2O.CH4N2O/c1-6(2)5(8)7(3)4;2-1(3)4/h1-4H3;(H4,2,3,4)
InChIKeyISYFPPWORVLQAD-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.75
Rot. Bonds

About 1,1,3,3-tetramethylurea;urea

1,1,3,3-tetramethylurea;urea (PubChem CID 158796669) has the molecular formula C6H16N4O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,1,3,3-tetramethylurea;urea.

Molecular Properties

Compound Name1,1,3,3-tetramethylurea;urea
PubChem CID158796669
Molecular FormulaC6H16N4O2
Molecular Weight176.22 g/mol
Exact Mass176.13
IUPAC Name1,1,3,3-tetramethylurea;urea
SMILESCN(C)C(=O)N(C)C.NC(N)=O
InChIInChI=1S/C5H12N2O.CH4N2O/c1-6(2)5(8)7(3)4;2-1(3)4/h1-4H3;(H4,2,3,4)
InChIKeyISYFPPWORVLQAD-UHFFFAOYSA-N
XLogP-0.75
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diamino-3,3-dimethylurea
CID 154021119
methanol;urea
CID 174800234
diamino(113C)methanone
CID 636363
bis(N,N-dimethylacetamide);methane;propane;1,1,3,3-tetramethylurea
CID 157392162
dimethylcarbamic acid;ethane
CID 143338074
carbamic acid;N,N-dimethylmethanamine
CID 173358065
1,1,3-trimethyl-3-sulfanylurea
CID 88793669
1-(dimethylamino)-1,3,3-trimethylurea
CID 54151962
1,1-diaminourea;ethane
CID 174870185
samarium;urea
CID 175944196
niobium;urea
CID 159338844
lithium urea
CID 22107644

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethylurea;urea?
The IUPAC name of 1,1,3,3-tetramethylurea;urea (CID 158796669) is 1,1,3,3-tetramethylurea;urea.
What is the SMILES notation for 1,1,3,3-tetramethylurea;urea?
The canonical SMILES for 1,1,3,3-tetramethylurea;urea is CN(C)C(=O)N(C)C.NC(N)=O.
What is the InChIKey of 1,1,3,3-tetramethylurea;urea?
The InChIKey is ISYFPPWORVLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.CH4N2O/c1-6(2)5(8)7(3)4;2-1(3)4/h1-4H3;(H4,2,3,4).
What are the key properties of 1,1,3,3-tetramethylurea;urea?
1,1,3,3-tetramethylurea;urea has a molecular weight of 176.22 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethylurea;urea is sourced from PubChem (CID 158796669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).