[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol

C10H16N4O — CID 136987194

IUPAC[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol
SMILES[H]/N=C1\C(CO)=CN/C(=C/CC2CC2)N1N
InChIInChI=1S/C10H16N4O/c11-10-8(6-15)5-13-9(14(10)12)4-3-7-1-2-7/h4-5,7,11,13,15H,1-3,6,12H2/b9-4-,11-10+
InChIKeyVUWOPQSEQVWQKG-OQNSZXBQSA-N
MW208.26 g/mol
LogP0.26
Rot. Bonds3

About [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol

[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol (PubChem CID 136987194) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol
PubChem CID136987194
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol
SMILES[H]/N=C1\C(CO)=CN/C(=C/CC2CC2)N1N
InChIInChI=1S/C10H16N4O/c11-10-8(6-15)5-13-9(14(10)12)4-3-7-1-2-7/h4-5,7,11,13,15H,1-3,6,12H2/b9-4-,11-10+
InChIKeyVUWOPQSEQVWQKG-OQNSZXBQSA-N
XLogP0.26
TPSA85.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol?
The IUPAC name of [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol (CID 136987194) is [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol.
What is the SMILES notation for [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol?
The canonical SMILES for [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol is [H]/N=C1\C(CO)=CN/C(=C/CC2CC2)N1N.
What is the InChIKey of [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol?
The InChIKey is VUWOPQSEQVWQKG-OQNSZXBQSA-N. The full InChI is InChI=1S/C10H16N4O/c11-10-8(6-15)5-13-9(14(10)12)4-3-7-1-2-7/h4-5,7,11,13,15H,1-3,6,12H2/b9-4-,11-10+.
What are the key properties of [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol?
[(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol has a molecular weight of 208.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-amino-2-(2-cyclopropylethylidene)-4-imino-1H-pyrimidin-5-yl]methanol is sourced from PubChem (CID 136987194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).