4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine

C21H19N7 — CID 8971405

IUPAC4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)n1
InChIInChI=1S/C21H19N7/c1-15-12-16(2)25-21(24-15)26-23-13-18-14-28(19-6-4-3-5-7-19)27-20(18)17-8-10-22-11-9-17/h3-14H,1-2H3,(H,24,25,26)/b23-13-
InChIKeyIIGWTXPNKTVXLM-QRVIBDJDSA-N
MW369.43 g/mol
LogP3.79
Rot. Bonds5

About 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine (PubChem CID 8971405) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
PubChem CID8971405
Molecular FormulaC21H19N7
Molecular Weight369.43 g/mol
Exact Mass369.17
IUPAC Name4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)n1
InChIInChI=1S/C21H19N7/c1-15-12-16(2)25-21(24-15)26-23-13-18-14-28(19-6-4-3-5-7-19)27-20(18)17-8-10-22-11-9-17/h3-14H,1-2H3,(H,24,25,26)/b23-13-
InChIKeyIIGWTXPNKTVXLM-QRVIBDJDSA-N
XLogP3.79
TPSA80.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.79
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'}

Analyze 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(Z)-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013569
2,6-dichloro-N-[(E)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 75362969
4-bromo-2,6-dichloro-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 71844798
1-butyl-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8978837
N-methyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]aniline
CID 9023555
N-[(E)-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylaniline
CID 21236227
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridin-2-amine
CID 84931945
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
1-[(2S)-1-methoxypropan-2-yl]-3-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]thiourea
CID 8979878
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-4,6,8-trimethylquinolin-2-amine
CID 3926285
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]aniline
CID 4185428
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine (CID 8971405) is 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(N/N=C\c2cn(-c3ccccc3)nc2-c2ccncc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The InChIKey is IIGWTXPNKTVXLM-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H19N7/c1-15-12-16(2)25-21(24-15)26-23-13-18-14-28(19-6-4-3-5-7-19)27-20(18)17-8-10-22-11-9-17/h3-14H,1-2H3,(H,24,25,26)/b23-13-.
What are the key properties of 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine has a molecular weight of 369.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(Z)-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 8971405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).