2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol

C15H19ClN6O — CID 2851565

IUPAC2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCN(C)c1cc(NN=Cc2cc(Cl)ccc2O)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN6O/c1-21(2)14-8-13(18-15(19-14)22(3)4)20-17-9-10-7-11(16)5-6-12(10)23/h5-9,23H,1-4H3,(H,18,19,20)
InChIKeyBZCDOXBJOBXBDX-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.41
Rot. Bonds5

About 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol

2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol (PubChem CID 2851565) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
PubChem CID2851565
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCN(C)c1cc(NN=Cc2cc(Cl)ccc2O)nc(N(C)C)n1
InChIInChI=1S/C15H19ClN6O/c1-21(2)14-8-13(18-15(19-14)22(3)4)20-17-9-10-7-11(16)5-6-12(10)23/h5-9,23H,1-4H3,(H,18,19,20)
InChIKeyBZCDOXBJOBXBDX-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The IUPAC name of 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol (CID 2851565) is 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The canonical SMILES for 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol is CN(C)c1cc(NN=Cc2cc(Cl)ccc2O)nc(N(C)C)n1.
What is the InChIKey of 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The InChIKey is BZCDOXBJOBXBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-21(2)14-8-13(18-15(19-14)22(3)4)20-17-9-10-7-11(16)5-6-12(10)23/h5-9,23H,1-4H3,(H,18,19,20).
What are the key properties of 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol has a molecular weight of 334.81 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol is sourced from PubChem (CID 2851565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).