3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol

C7H12N4O2 — CID 59654221

IUPAC3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol
SMILESNc1ncc/c(=N\CCCO)n1O
InChIInChI=1S/C7H12N4O2/c8-7-10-4-2-6(11(7)13)9-3-1-5-12/h2,4,12-13H,1,3,5H2,(H2,8,10)/b9-6+
InChIKeyBWWQWVFZUSTYJP-RMKNXTFCSA-N
MW184.20 g/mol
LogP-1.01
Rot. Bonds3

About 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol

3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol (PubChem CID 59654221) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol
PubChem CID59654221
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol
SMILESNc1ncc/c(=N\CCCO)n1O
InChIInChI=1S/C7H12N4O2/c8-7-10-4-2-6(11(7)13)9-3-1-5-12/h2,4,12-13H,1,3,5H2,(H2,8,10)/b9-6+
InChIKeyBWWQWVFZUSTYJP-RMKNXTFCSA-N
XLogP-1.01
TPSA96.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol?
The IUPAC name of 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol (CID 59654221) is 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol?
The canonical SMILES for 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol is Nc1ncc/c(=N\CCCO)n1O.
What is the InChIKey of 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol?
The InChIKey is BWWQWVFZUSTYJP-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H12N4O2/c8-7-10-4-2-6(11(7)13)9-3-1-5-12/h2,4,12-13H,1,3,5H2,(H2,8,10)/b9-6+.
What are the key properties of 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol?
3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol has a molecular weight of 184.20 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-hydroxypyrimidin-4-ylidene)amino]propan-1-ol is sourced from PubChem (CID 59654221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).