[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol

C15H18N4O2 — CID 81000736

IUPAC[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(NN)nc(C2CC2)nc1Oc1cccc(CO)c1
InChIInChI=1S/C15H18N4O2/c1-9-13(19-16)17-14(11-5-6-11)18-15(9)21-12-4-2-3-10(7-12)8-20/h2-4,7,11,20H,5-6,8,16H2,1H3,(H,17,18,19)
InChIKeyWLRZZIGIFSZSBO-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.23
Rot. Bonds5

About [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol

[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 81000736) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
PubChem CID81000736
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol
SMILESCc1c(NN)nc(C2CC2)nc1Oc1cccc(CO)c1
InChIInChI=1S/C15H18N4O2/c1-9-13(19-16)17-14(11-5-6-11)18-15(9)21-12-4-2-3-10(7-12)8-20/h2-4,7,11,20H,5-6,8,16H2,1H3,(H,17,18,19)
InChIKeyWLRZZIGIFSZSBO-UHFFFAOYSA-N
XLogP2.23
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol (CID 81000736) is [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol is Cc1c(NN)nc(C2CC2)nc1Oc1cccc(CO)c1.
What is the InChIKey of [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is WLRZZIGIFSZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-13(19-16)17-14(11-5-6-11)18-15(9)21-12-4-2-3-10(7-12)8-20/h2-4,7,11,20H,5-6,8,16H2,1H3,(H,17,18,19).
What are the key properties of [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol?
[3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 286.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 81000736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).