5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

C15H19N5O — CID 73406972

IUPAC5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCON=Cc1c(N)ncnc1Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H19N5O/c1-9-5-10(2)13(11(3)6-9)20-15-12(7-19-21-4)14(16)17-8-18-15/h5-8H,1-4H3,(H3,16,17,18,20)
InChIKeyULBRMRWZRCECDQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds4

About 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine

5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 73406972) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
PubChem CID73406972
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
SMILESCON=Cc1c(N)ncnc1Nc1c(C)cc(C)cc1C
InChIInChI=1S/C15H19N5O/c1-9-5-10(2)13(11(3)6-9)20-15-12(7-19-21-4)14(16)17-8-18-15/h5-8H,1-4H3,(H3,16,17,18,20)
InChIKeyULBRMRWZRCECDQ-UHFFFAOYSA-N
XLogP2.71
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine (CID 73406972) is 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is CON=Cc1c(N)ncnc1Nc1c(C)cc(C)cc1C.
What is the InChIKey of 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ULBRMRWZRCECDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-5-10(2)13(11(3)6-9)20-15-12(7-19-21-4)14(16)17-8-18-15/h5-8H,1-4H3,(H3,16,17,18,20).
What are the key properties of 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine?
5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 285.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 73406972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).