6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

C19H18N4O3 — CID 22528288

IUPAC6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(NC(C)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H18N4O3/c1-13-8-10-16(11-9-13)26-19-17(23(24)25)18(20-12-21-19)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyGBMYITRMTGYQAM-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.66
Rot. Bonds6

About 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 22528288) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID22528288
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(NC(C)c3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H18N4O3/c1-13-8-10-16(11-9-13)26-19-17(23(24)25)18(20-12-21-19)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyGBMYITRMTGYQAM-UHFFFAOYSA-N
XLogP4.66
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-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

N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536971
N-butan-2-yl-5-nitro-6-phenoxypyrimidin-4-amine
CID 22537387
6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23490003
6-(5-bromoquinolin-8-yl)oxy-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 22528291
4-N,4-N-dimethyl-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23488900
N-(4-methoxyphenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22533429
N-butan-2-yl-6-(4-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22538940
5-methyl-N-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
CID 23479036
N-(4-chlorophenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22532992
4-(4-methylphenoxy)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482286
4-[[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22537455
N-(1-methoxypropan-2-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 23490772

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (CID 22528288) is 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine is Cc1ccc(Oc2ncnc(NC(C)c3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is GBMYITRMTGYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-8-10-16(11-9-13)26-19-17(23(24)25)18(20-12-21-19)22-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22).
What are the key properties of 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 350.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 22528288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).