N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

C23H22N6O — CID 9013569

IUPACN-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1/C=N\Nc1nc(C)cc(C)n1
InChIInChI=1S/C23H22N6O/c1-16-13-17(2)26-23(25-16)27-24-14-18-15-29(19-9-5-4-6-10-19)28-22(18)20-11-7-8-12-21(20)30-3/h4-15H,1-3H3,(H,25,26,27)/b24-14-
InChIKeyLPOQHDGUVHYYDR-OYKKKHCWSA-N
MW398.47 g/mol
LogP4.40
Rot. Bonds6

About N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine

N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (PubChem CID 9013569) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
PubChem CID9013569
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1-c1nn(-c2ccccc2)cc1/C=N\Nc1nc(C)cc(C)n1
InChIInChI=1S/C23H22N6O/c1-16-13-17(2)26-23(25-16)27-24-14-18-15-29(19-9-5-4-6-10-19)28-22(18)20-11-7-8-12-21(20)30-3/h4-15H,1-3H3,(H,25,26,27)/b24-14-
InChIKeyLPOQHDGUVHYYDR-OYKKKHCWSA-N
XLogP4.40
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
CID 8971405
1-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-methylthiourea
CID 9071653
ethyl N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 9075938
4-amino-N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9070760
2-fluoro-N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9235806
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013436
2-(2-methoxyphenoxy)-N-[(Z)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
CID 5456741
(E)-N-(3-acetamido-2-methylphenyl)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 24673583
methyl N-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 9075461
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
4-methoxy-N-[[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 3532181

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine (CID 9013569) is N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is COc1ccccc1-c1nn(-c2ccccc2)cc1/C=N\Nc1nc(C)cc(C)n1.
What is the InChIKey of N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is LPOQHDGUVHYYDR-OYKKKHCWSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16-13-17(2)26-23(25-16)27-24-14-18-15-29(19-9-5-4-6-10-19)28-22(18)20-11-7-8-12-21(20)30-3/h4-15H,1-3H3,(H,25,26,27)/b24-14-.
What are the key properties of N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine?
N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 398.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 9013569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).