6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine

C19H18N4O3 — CID 23490003

IUPAC6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(NCCc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H18N4O3/c1-14-7-9-16(10-8-14)26-19-17(23(24)25)18(21-13-22-19)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyMFUUWFSBCHUXDS-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.14
Rot. Bonds7

About 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine

6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 23490003) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID23490003
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(NCCc3ccccc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C19H18N4O3/c1-14-7-9-16(10-8-14)26-19-17(23(24)25)18(21-13-22-19)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,22)
InChIKeyMFUUWFSBCHUXDS-UHFFFAOYSA-N
XLogP4.14
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.14
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'}

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Related Compounds

N-(3-methoxypropyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22526563
N-[(4-chlorophenyl)methyl]-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22534922
6-(4-methylphenoxy)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 22528288
5-nitro-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80844165
N-butyl-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine
CID 23486847
6-(3-methylphenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 80866607
6-(4-bromophenoxy)-5-nitro-N-propylpyrimidin-4-amine
CID 23487454
N-benzyl-6-naphthalen-2-yloxy-5-nitropyrimidin-4-amine
CID 23482147
N-benzyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 23488208
6-(3,4-dimethylphenoxy)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 22539115
N-(4-ethoxyphenyl)-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22533536
N'-[6-(4-methylphenoxy)-5-nitropyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22536971

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine (CID 23490003) is 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine is Cc1ccc(Oc2ncnc(NCCc3ccccc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is MFUUWFSBCHUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-14-7-9-16(10-8-14)26-19-17(23(24)25)18(21-13-22-19)20-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,20,21,22).
What are the key properties of 6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
6-(4-methylphenoxy)-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 350.38 g/mol, XLogP of 4.14, 7 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-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 23490003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).