6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine

C14H16N4O3 — CID 80878866

IUPAC6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H16N4O3/c1-3-4-11-13(15)16-8-17-14(11)21-12-7-10(18(19)20)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyKQWFBYXFEAPOTG-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.02
Rot. Bonds5

About 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine

6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80878866) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
PubChem CID80878866
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H16N4O3/c1-3-4-11-13(15)16-8-17-14(11)21-12-7-10(18(19)20)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
InChIKeyKQWFBYXFEAPOTG-UHFFFAOYSA-N
XLogP3.02
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.02
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

6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
6-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
2-(2-methyl-5-nitrophenoxy)acetonitrile
CID 60779222

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine (CID 80878866) is 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is KQWFBYXFEAPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-4-11-13(15)16-8-17-14(11)21-12-7-10(18(19)20)6-5-9(12)2/h5-8H,3-4H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine?
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80878866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).