1-[(carbamoylamino)methyl]-3-methylurea

C4H10N4O2 — CID 22966822

IUPAC1-[(carbamoylamino)methyl]-3-methylurea
SMILESCNC(=O)NCNC(N)=O
InChIInChI=1S/C4H10N4O2/c1-6-4(10)8-2-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyIBJVSOODNQKGOZ-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.46
Rot. Bonds2

About 1-[(carbamoylamino)methyl]-3-methylurea

1-[(carbamoylamino)methyl]-3-methylurea (PubChem CID 22966822) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1-[(carbamoylamino)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(carbamoylamino)methyl]-3-methylurea
PubChem CID22966822
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name1-[(carbamoylamino)methyl]-3-methylurea
SMILESCNC(=O)NCNC(N)=O
InChIInChI=1S/C4H10N4O2/c1-6-4(10)8-2-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10)
InChIKeyIBJVSOODNQKGOZ-UHFFFAOYSA-N
XLogP-1.46
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(carbamoylamino)methyl]-3-methylurea?
The IUPAC name of 1-[(carbamoylamino)methyl]-3-methylurea (CID 22966822) is 1-[(carbamoylamino)methyl]-3-methylurea.
What is the SMILES notation for 1-[(carbamoylamino)methyl]-3-methylurea?
The canonical SMILES for 1-[(carbamoylamino)methyl]-3-methylurea is CNC(=O)NCNC(N)=O.
What is the InChIKey of 1-[(carbamoylamino)methyl]-3-methylurea?
The InChIKey is IBJVSOODNQKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c1-6-4(10)8-2-7-3(5)9/h2H2,1H3,(H3,5,7,9)(H2,6,8,10).
What are the key properties of 1-[(carbamoylamino)methyl]-3-methylurea?
1-[(carbamoylamino)methyl]-3-methylurea has a molecular weight of 146.15 g/mol, XLogP of -1.46, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(carbamoylamino)methyl]-3-methylurea is sourced from PubChem (CID 22966822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).