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

C15H19ClN6O — CID 135459087

IUPAC2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCN(C)c1cc(N/N=C/c2cc(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)/b17-9+
InChIKeyBZCDOXBJOBXBDX-RQZCQDPDSA-N
MW334.81 g/mol
LogP2.41
Rot. Bonds5

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

2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol (PubChem CID 135459087) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
PubChem CID135459087
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
SMILESCN(C)c1cc(N/N=C/c2cc(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)/b17-9+
InChIKeyBZCDOXBJOBXBDX-RQZCQDPDSA-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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Related Compounds

4-[(6-Chloro-2-methyl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135536449
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
2-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135425063
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
2-[[[2,6-Bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 2851565
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985
2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
CID 137225103
3,5-dichloro-2-hydroxybenzaldehyde [6-(4-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl]hydrazone
CID 135536473
2-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136445552
2-[(E)-[(6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methyl-3-propan-2-ylphenol
CID 177503784
4-chloro-2-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135466642
4-chloro-2-[(Z)-{2-[5-fluoro-4-(morpholin-4-yl)pyrimidin-2-yl]hydrazinylidene}methyl]phenol
CID 135628634

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The IUPAC name of 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol (CID 135459087) is 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol.
What is the SMILES notation for 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The canonical SMILES for 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol is CN(C)c1cc(N/N=C/c2cc(Cl)ccc2O)nc(N(C)C)n1.
What is the InChIKey of 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
The InChIKey is BZCDOXBJOBXBDX-RQZCQDPDSA-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)/b17-9+.
What are the key properties of 2-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol?
2-[(E)-[[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-[(E)-[[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol is sourced from PubChem (CID 135459087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).