4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

C16H20ClN5O — CID 136690171

IUPAC4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCC(C)c1nc(N/N=C\c2cc(Cl)ccc2O)cc(N(C)C)n1
InChIInChI=1S/C16H20ClN5O/c1-10(2)16-19-14(8-15(20-16)22(3)4)21-18-9-11-7-12(17)5-6-13(11)23/h5-10,23H,1-4H3,(H,19,20,21)/b18-9-
InChIKeyCHZHVFQQTAISMN-NVMNQCDNSA-N
MW333.82 g/mol
LogP3.47
Rot. Bonds5

About 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol

4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 136690171) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID136690171
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCC(C)c1nc(N/N=C\c2cc(Cl)ccc2O)cc(N(C)C)n1
InChIInChI=1S/C16H20ClN5O/c1-10(2)16-19-14(8-15(20-16)22(3)4)21-18-9-11-7-12(17)5-6-13(11)23/h5-10,23H,1-4H3,(H,19,20,21)/b18-9-
InChIKeyCHZHVFQQTAISMN-NVMNQCDNSA-N
XLogP3.47
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-dimethyl-2-propan-2-yl-6-N-[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-4,6-diamine
CID 4099295
6-N-[(4-chlorophenyl)methylideneamino]-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4,6-triamine
CID 3769434
4-[5-[[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3654905
2-[(E)-[[4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 135531648
6-N-[[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-4-N,4-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 4589206
4-chloro-2-[(E)-[[4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135508919
4-chloro-2-[(E)-(2H-tetrazol-5-ylhydrazinylidene)methyl]phenol
CID 135684788
4-chloro-2-[(E)-[(3-methoxypyrazin-2-yl)hydrazinylidene]methyl]phenol
CID 135537125
1,3-bis[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea
CID 135527074
(2S)-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 136916103
[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]carbamic acid
CID 135408520
2-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]acetonitrile
CID 135751917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 136690171) is 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is CC(C)c1nc(N/N=C\c2cc(Cl)ccc2O)cc(N(C)C)n1.
What is the InChIKey of 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is CHZHVFQQTAISMN-NVMNQCDNSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-10(2)16-19-14(8-15(20-16)22(3)4)21-18-9-11-7-12(17)5-6-13(11)23/h5-10,23H,1-4H3,(H,19,20,21)/b18-9-.
What are the key properties of 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol?
4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 333.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(Z)-[[6-(dimethylamino)-2-propan-2-ylpyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136690171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).