N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide

C5H12N6O2 — CID 119097165

IUPACN-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide
SMILESC/N=C(\NNC=O)NNC(=O)NC
InChIInChI=1S/C5H12N6O2/c1-6-4(9-8-3-12)10-11-5(13)7-2/h3H,1-2H3,(H,8,12)(H2,6,9,10)(H2,7,11,13)
InChIKeyBGBONEKERKNQGD-UHFFFAOYSA-N
MW188.19 g/mol
LogP-2.34
Rot. Bonds2

About N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide

N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide (PubChem CID 119097165) has the molecular formula C5H12N6O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide.

Molecular Properties

Compound NameN-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide
PubChem CID119097165
Molecular FormulaC5H12N6O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC NameN-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide
SMILESC/N=C(\NNC=O)NNC(=O)NC
InChIInChI=1S/C5H12N6O2/c1-6-4(9-8-3-12)10-11-5(13)7-2/h3H,1-2H3,(H,8,12)(H2,6,9,10)(H2,7,11,13)
InChIKeyBGBONEKERKNQGD-UHFFFAOYSA-N
XLogP-2.34
TPSA106.65 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-acetamido-3-methylurea
CID 22082406
1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
N-(dimethylcarbamoylamino)formamide
CID 57038201
1-[[(2S)-2-hydroxypropanoyl]amino]-3-methylurea
CID 97178553
2-(2-formylhydrazinyl)-2-oxoacetamide
CID 13388212
1,3-dimethylurea;prop-1-ene
CID 160798014
ethyl N-(methylcarbamoylamino)carbamate
CID 568737
N-(N,N'-dimethylcarbamimidoyl)-2,2,2-trifluoroacetamide
CID 141001647
N-tert-butyl-2-[(N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 75532327
5-[(N,N'-dimethylcarbamimidoyl)amino]-N-methylpentanamide
CID 170258094
ethane;ethenyl N'-methyl-N-(methylcarbamoyl)carbamimidothioate
CID 143858168

Frequently Asked Questions

What is the IUPAC name of N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide?
The IUPAC name of N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide (CID 119097165) is N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide.
What is the SMILES notation for N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide?
The canonical SMILES for N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide is C/N=C(\NNC=O)NNC(=O)NC.
What is the InChIKey of N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide?
The InChIKey is BGBONEKERKNQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6O2/c1-6-4(9-8-3-12)10-11-5(13)7-2/h3H,1-2H3,(H,8,12)(H2,6,9,10)(H2,7,11,13).
What are the key properties of N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide?
N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide has a molecular weight of 188.19 g/mol, XLogP of -2.34, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide is sourced from PubChem (CID 119097165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).