5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine

C15H15N7 — CID 143249104

IUPAC5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine
SMILESC/N=C/c1c(N)ncnc1Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N7/c1-17-9-13-14(16)18-10-19-15(13)21-11-3-5-12(6-4-11)22-8-2-7-20-22/h2-10H,1H3,(H3,16,18,19,21)/b17-9+
InChIKeySISYQFALFJTHJU-RQZCQDPDSA-N
MW293.33 g/mol
LogP2.04
Rot. Bonds4

About 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine

5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 143249104) has the molecular formula C15H15N7 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine
PubChem CID143249104
Molecular FormulaC15H15N7
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine
SMILESC/N=C/c1c(N)ncnc1Nc1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N7/c1-17-9-13-14(16)18-10-19-15(13)21-11-3-5-12(6-4-11)22-8-2-7-20-22/h2-10H,1H3,(H3,16,18,19,21)/b17-9+
InChIKeySISYQFALFJTHJU-RQZCQDPDSA-N
XLogP2.04
TPSA94.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine (CID 143249104) is 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine is C/N=C/c1c(N)ncnc1Nc1ccc(-n2cccn2)cc1.
What is the InChIKey of 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is SISYQFALFJTHJU-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H15N7/c1-17-9-13-14(16)18-10-19-15(13)21-11-3-5-12(6-4-11)22-8-2-7-20-22/h2-10H,1H3,(H3,16,18,19,21)/b17-9+.
What are the key properties of 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine?
5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 293.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methyliminomethyl)-4-N-(4-pyrazol-1-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143249104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).