2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C20H21N5O — CID 135443069

IUPAC2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C20H21N5O/c1-14-12-19(23-20(22-14)17-6-4-5-7-18(17)26)24-21-13-15-8-10-16(11-9-15)25(2)3/h4-13,26H,1-3H3,(H,22,23,24)/b21-13+
InChIKeyDFRZEUBZUUBNOZ-FYJGNVAPSA-N
MW347.42 g/mol
LogP3.67
Rot. Bonds5

About 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 135443069) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID135443069
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(-c2ccccc2O)n1
InChIInChI=1S/C20H21N5O/c1-14-12-19(23-20(22-14)17-6-4-5-7-18(17)26)24-21-13-15-8-10-16(11-9-15)25(2)3/h4-13,26H,1-3H3,(H,22,23,24)/b21-13+
InChIKeyDFRZEUBZUUBNOZ-FYJGNVAPSA-N
XLogP3.67
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', '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

2-[4-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472541
2-[4-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135472546
4-[(Z)-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-2-methylbenzene-1,3-diol
CID 135854092
2-[4-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 136904721
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3754664
4-[(Z)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136690415
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 89355666
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-2-amine
CID 70584569
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]benzo[cd]indol-2-amine
CID 6085383
N-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 50885946
4-[(Z)-[(2,6-diphenylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 136767762
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6868994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 135443069) is 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is Cc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is DFRZEUBZUUBNOZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-12-19(23-20(22-14)17-6-4-5-7-18(17)26)24-21-13-15-8-10-16(11-9-15)25(2)3/h4-13,26H,1-3H3,(H,22,23,24)/b21-13+.
What are the key properties of 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 347.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 135443069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).