4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol

C19H24N6O2 — CID 135466643

IUPAC4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O
InChIInChI=1S/C19H24N6O2/c26-15-6-5-14(11-16(15)27)13-20-23-17-12-18(24-7-1-2-8-24)22-19(21-17)25-9-3-4-10-25/h5-6,11-13,26-27H,1-4,7-10H2,(H,21,22,23)/b20-13+
InChIKeyNTXCGRMMYZSAGT-DEDYPNTBSA-N
MW368.44 g/mol
LogP2.53
Rot. Bonds5

About 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol

4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135466643) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135466643
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O
InChIInChI=1S/C19H24N6O2/c26-15-6-5-14(11-16(15)27)13-20-23-17-12-18(24-7-1-2-8-24)22-19(21-17)25-9-3-4-10-25/h5-6,11-13,26-27H,1-4,7-10H2,(H,21,22,23)/b20-13+
InChIKeyNTXCGRMMYZSAGT-DEDYPNTBSA-N
XLogP2.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135466643) is 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1O.
What is the InChIKey of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is NTXCGRMMYZSAGT-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-15-6-5-14(11-16(15)27)13-20-23-17-12-18(24-7-1-2-8-24)22-19(21-17)25-9-3-4-10-25/h5-6,11-13,26-27H,1-4,7-10H2,(H,21,22,23)/b20-13+.
What are the key properties of 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 368.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135466643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).