1,3-bis(methylcarbamoyl)urea

C5H10N4O3 — CID 58512787

IUPAC1,3-bis(methylcarbamoyl)urea
SMILESCNC(=O)NC(=O)NC(=O)NC
InChIInChI=1S/C5H10N4O3/c1-6-3(10)8-5(12)9-4(11)7-2/h1-2H3,(H4,6,7,8,9,10,11,12)
InChIKeyWIKQVDQEWWLEGP-UHFFFAOYSA-N
MW174.16 g/mol
LogP-1.04
Rot. Bonds

About 1,3-bis(methylcarbamoyl)urea

1,3-bis(methylcarbamoyl)urea (PubChem CID 58512787) has the molecular formula C5H10N4O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 1,3-bis(methylcarbamoyl)urea.

Molecular Properties

Compound Name1,3-bis(methylcarbamoyl)urea
PubChem CID58512787
Molecular FormulaC5H10N4O3
Molecular Weight174.16 g/mol
Exact Mass174.08
IUPAC Name1,3-bis(methylcarbamoyl)urea
SMILESCNC(=O)NC(=O)NC(=O)NC
InChIInChI=1S/C5H10N4O3/c1-6-3(10)8-5(12)9-4(11)7-2/h1-2H3,(H4,6,7,8,9,10,11,12)
InChIKeyWIKQVDQEWWLEGP-UHFFFAOYSA-N
XLogP-1.04
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methylcarbamoyl)urea?
The IUPAC name of 1,3-bis(methylcarbamoyl)urea (CID 58512787) is 1,3-bis(methylcarbamoyl)urea.
What is the SMILES notation for 1,3-bis(methylcarbamoyl)urea?
The canonical SMILES for 1,3-bis(methylcarbamoyl)urea is CNC(=O)NC(=O)NC(=O)NC.
What is the InChIKey of 1,3-bis(methylcarbamoyl)urea?
The InChIKey is WIKQVDQEWWLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O3/c1-6-3(10)8-5(12)9-4(11)7-2/h1-2H3,(H4,6,7,8,9,10,11,12).
What are the key properties of 1,3-bis(methylcarbamoyl)urea?
1,3-bis(methylcarbamoyl)urea has a molecular weight of 174.16 g/mol, XLogP of -1.04, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methylcarbamoyl)urea is sourced from PubChem (CID 58512787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).