1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea

C8H13N7O2 — CID 174812539

IUPAC1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea
SMILESCc1cc(N(N)C(N)=O)cc(N(N)C(N)=O)n1
InChIInChI=1S/C8H13N7O2/c1-4-2-5(14(11)7(9)16)3-6(13-4)15(12)8(10)17/h2-3H,11-12H2,1H3,(H2,9,16)(H2,10,17)
InChIKeyMNHIMUQZIOYSKS-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.09
Rot. Bonds2

About 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea

1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea (PubChem CID 174812539) has the molecular formula C8H13N7O2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea.

Molecular Properties

Compound Name1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea
PubChem CID174812539
Molecular FormulaC8H13N7O2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea
SMILESCc1cc(N(N)C(N)=O)cc(N(N)C(N)=O)n1
InChIInChI=1S/C8H13N7O2/c1-4-2-5(14(11)7(9)16)3-6(13-4)15(12)8(10)17/h2-3H,11-12H2,1H3,(H2,9,16)(H2,10,17)
InChIKeyMNHIMUQZIOYSKS-UHFFFAOYSA-N
XLogP-1.09
TPSA157.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea?
The IUPAC name of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea (CID 174812539) is 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea.
What is the SMILES notation for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea?
The canonical SMILES for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea is Cc1cc(N(N)C(N)=O)cc(N(N)C(N)=O)n1.
What is the InChIKey of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea?
The InChIKey is MNHIMUQZIOYSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2/c1-4-2-5(14(11)7(9)16)3-6(13-4)15(12)8(10)17/h2-3H,11-12H2,1H3,(H2,9,16)(H2,10,17).
What are the key properties of 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea?
1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea has a molecular weight of 239.24 g/mol, XLogP of -1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-[amino(carbamoyl)amino]-6-methyl-4-pyridinyl]urea is sourced from PubChem (CID 174812539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).