5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine

C18H18N6O2 — CID 73407016

IUPAC5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCON=Cc1c(N)ncnc1Nc1ccc(Oc2cccnc2)c(C)c1
InChIInChI=1S/C18H18N6O2/c1-12-8-13(5-6-16(12)26-14-4-3-7-20-9-14)24-18-15(10-23-25-2)17(19)21-11-22-18/h3-11H,1-2H3,(H3,19,21,22,24)
InChIKeyCHDSNPNAIIGLHU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.28
Rot. Bonds6

About 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine

5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 73407016) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID73407016
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCON=Cc1c(N)ncnc1Nc1ccc(Oc2cccnc2)c(C)c1
InChIInChI=1S/C18H18N6O2/c1-12-8-13(5-6-16(12)26-14-4-3-7-20-9-14)24-18-15(10-23-25-2)17(19)21-11-22-18/h3-11H,1-2H3,(H3,19,21,22,24)
InChIKeyCHDSNPNAIIGLHU-UHFFFAOYSA-N
XLogP3.28
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-N-(3,4-dimethoxyphenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 59011917
4-N-(3-chloro-4-fluorophenyl)-5-(methoxyiminomethyl)pyrimidine-4,6-diamine
CID 73406992
5-(methoxyiminomethyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 73406972
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
2-methyl-4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yn-2-ol
CID 22484359
6-methanehydrazonoyl-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 67424710
6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 22484384
N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
CID 10160134
4-N-[1-[(3-chlorophenyl)methyl]indazol-5-yl]-5-(methoxyiminomethyl)pyrimidine-4,6-diamine
CID 73407059
N-(3-chloro-4-pyridin-3-yloxyphenyl)-5-fluoroquinazolin-4-amine
CID 69028468
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
CID 141045085
(E)-3-[4-(ethylamino)-6-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]pyrimidin-5-yl]-2-methylprop-2-enoic acid
CID 143529765

Frequently Asked Questions

What is the IUPAC name of 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine (CID 73407016) is 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine is CON=Cc1c(N)ncnc1Nc1ccc(Oc2cccnc2)c(C)c1.
What is the InChIKey of 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is CHDSNPNAIIGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-8-13(5-6-16(12)26-14-4-3-7-20-9-14)24-18-15(10-23-25-2)17(19)21-11-22-18/h3-11H,1-2H3,(H3,19,21,22,24).
What are the key properties of 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine?
5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 350.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyiminomethyl)-4-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 73407016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).