4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine

C19H20N4O3 — CID 143053924

IUPAC4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCONc1ccc(Oc2ccnc(Nc3cccc(OC)c3)n2)cc1C
InChIInChI=1S/C19H20N4O3/c1-13-11-16(7-8-17(13)23-25-3)26-18-9-10-20-19(22-18)21-14-5-4-6-15(12-14)24-2/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyNQGJGFYQELQEDM-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.30
Rot. Bonds7

About 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine

4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine (PubChem CID 143053924) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
PubChem CID143053924
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
SMILESCONc1ccc(Oc2ccnc(Nc3cccc(OC)c3)n2)cc1C
InChIInChI=1S/C19H20N4O3/c1-13-11-16(7-8-17(13)23-25-3)26-18-9-10-20-19(22-18)21-14-5-4-6-15(12-14)24-2/h4-12,23H,1-3H3,(H,20,21,22)
InChIKeyNQGJGFYQELQEDM-UHFFFAOYSA-N
XLogP4.30
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,4-dimethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 10520798
N-methoxy-2-methyl-4-phenoxyaniline
CID 134408976
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
3-N-[4-(4-amino-3-ethenylphenoxy)pyrimidin-2-yl]benzene-1,3-diamine
CID 143429074
4-N-(4-methoxy-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824739
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
CID 59823204
2-hydrazinyl-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 80919406
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
4-N-(3-methoxyphenyl)-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112904627
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine (CID 143053924) is 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine is CONc1ccc(Oc2ccnc(Nc3cccc(OC)c3)n2)cc1C.
What is the InChIKey of 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is NQGJGFYQELQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-11-16(7-8-17(13)23-25-3)26-18-9-10-20-19(22-18)21-14-5-4-6-15(12-14)24-2/h4-12,23H,1-3H3,(H,20,21,22).
What are the key properties of 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine?
4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 352.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 143053924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).