6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide

C14H13ClN6O2 — CID 144518887

IUPAC6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ncnc(-c2ccc(OC3CC3)c(Cl)c2)c1O
InChIInChI=1S/C14H13ClN6O2/c15-9-5-7(1-4-10(9)23-8-2-3-8)11-13(22)12(19-6-18-11)14(16)20-21-17/h1,4-6,8,22H,2-3H2,(H3,16,17,20)
InChIKeyGQOYPDJXPMISBQ-UHFFFAOYSA-N
MW332.75 g/mol
LogP2.70
Rot. Bonds4

About 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide

6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide (PubChem CID 144518887) has the molecular formula C14H13ClN6O2 and a molecular weight of 332.75 g/mol. Its IUPAC name is 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide
PubChem CID144518887
Molecular FormulaC14H13ClN6O2
Molecular Weight332.75 g/mol
Exact Mass332.08
IUPAC Name6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ncnc(-c2ccc(OC3CC3)c(Cl)c2)c1O
InChIInChI=1S/C14H13ClN6O2/c15-9-5-7(1-4-10(9)23-8-2-3-8)11-13(22)12(19-6-18-11)14(16)20-21-17/h1,4-6,8,22H,2-3H2,(H3,16,17,20)
InChIKeyGQOYPDJXPMISBQ-UHFFFAOYSA-N
XLogP2.70
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide
CID 144518964
6-(3-chloro-4-cyclopropyloxyphenyl)pyrimidine-4-carboxylate
CID 140735616
4-(3-chloro-4-cyclopropyloxyphenyl)pyridine
CID 71282606
4-(3-chloro-4-cyclopentyloxyphenyl)pyrimidine
CID 71282704
[3-(3-chloro-4-cyclopropyloxyphenyl)phenyl]methanol
CID 172649174
2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
CID 87150314
6-[3-chloro-4-(oxetan-3-yloxy)phenyl]pyrimidine-4-carboxylic acid
CID 71282615
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-2-methylpropane-1,3-diol
CID 122470677
2-(3-chloro-4-cyclopropyloxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172649191

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide (CID 144518887) is 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide is [H]/N=C(\N=N\N)c1ncnc(-c2ccc(OC3CC3)c(Cl)c2)c1O.
What is the InChIKey of 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide?
The InChIKey is GQOYPDJXPMISBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c15-9-5-7(1-4-10(9)23-8-2-3-8)11-13(22)12(19-6-18-11)14(16)20-21-17/h1,4-6,8,22H,2-3H2,(H3,16,17,20).
What are the key properties of 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide?
6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide has a molecular weight of 332.75 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-cyclopropyloxyphenyl)-N-hydrazinylidene-5-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 144518887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).