4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine

C16H16N6 — CID 135654413

IUPAC4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C16H16N6/c1-11-8-12(2)20-16(19-11)22-18-10-14-9-17-21-15(14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,21)(H,19,20,22)/b18-10+
InChIKeyCSRIBYVDPVHTBM-VCHYOVAHSA-N
MW292.35 g/mol
LogP2.93
Rot. Bonds4

About 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine (PubChem CID 135654413) has the molecular formula C16H16N6 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine
PubChem CID135654413
Molecular FormulaC16H16N6
Molecular Weight292.35 g/mol
Exact Mass292.14
IUPAC Name4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine
SMILESCc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C16H16N6/c1-11-8-12(2)20-16(19-11)22-18-10-14-9-17-21-15(14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,21)(H,19,20,22)/b18-10+
InChIKeyCSRIBYVDPVHTBM-VCHYOVAHSA-N
XLogP2.93
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
2-N-benzyl-5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949247
N-(4-butylphenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 16030702
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
5,7-Diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834454
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365
Pyrazolo[1,5-b]pyridazine deriv. 57
CID 6539399
Pyrazolo[1,5-b]pyridazine deriv. 87
CID 6539429
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
5-bromo-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[(1S)-1-phenylethyl]pyrimidine-2,4-diamine
CID 24949399

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine (CID 135654413) is 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine is Cc1cc(C)nc(N/N=C/c2cn[nH]c2-c2ccccc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
The InChIKey is CSRIBYVDPVHTBM-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H16N6/c1-11-8-12(2)20-16(19-11)22-18-10-14-9-17-21-15(14)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,21)(H,19,20,22)/b18-10+.
What are the key properties of 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine has a molecular weight of 292.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(E)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 135654413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).