3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

C8H13N3O2 — CID 115192836

IUPAC3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NN)o1
InChIInChI=1S/C8H13N3O2/c1-6-3-4-7(13-6)5-11(2)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyHVPYIGMMGHHBDI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.60
Rot. Bonds2

About 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea

3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (PubChem CID 115192836) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
PubChem CID115192836
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
SMILESCc1ccc(CN(C)C(=O)NN)o1
InChIInChI=1S/C8H13N3O2/c1-6-3-4-7(13-6)5-11(2)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyHVPYIGMMGHHBDI-UHFFFAOYSA-N
XLogP0.60
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 115605710
(2S)-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 78967844
3-amino-2-ethyl-1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 116513240
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
(2S)-5-amino-2-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 61197904
3-amino-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide;hydrochloride
CID 120504472
N-(2-aminoethyl)-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]oxamide
CID 43525988
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The IUPAC name of 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea (CID 115192836) is 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea.
What is the SMILES notation for 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The canonical SMILES for 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is Cc1ccc(CN(C)C(=O)NN)o1.
What is the InChIKey of 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
The InChIKey is HVPYIGMMGHHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-3-4-7(13-6)5-11(2)8(12)10-9/h3-4H,5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea?
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea has a molecular weight of 183.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea is sourced from PubChem (CID 115192836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).