6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine

C13H14N4O3 — CID 80875228

IUPAC6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C13H14N4O3/c1-2-7-14-12-8-13(16-9-15-12)20-11-6-4-3-5-10(11)17(18)19/h3-6,8-9H,2,7H2,1H3,(H,14,15,16)
InChIKeyUCOBLWGQZDMBPY-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.00
Rot. Bonds6

About 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine

6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine (PubChem CID 80875228) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
PubChem CID80875228
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Oc2ccccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C13H14N4O3/c1-2-7-14-12-8-13(16-9-15-12)20-11-6-4-3-5-10(11)17(18)19/h3-6,8-9H,2,7H2,1H3,(H,14,15,16)
InChIKeyUCOBLWGQZDMBPY-UHFFFAOYSA-N
XLogP3.00
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.00
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-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863
2-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80862938
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
6-(5-chloro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 80872389
N-ethyl-6-(3-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80875927
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 103484581
[6-(5-fluoro-2-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920512
6-(4-bromo-2-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 80881442
6-(5-fluoro-2-nitrophenoxy)-N-propylpyrazin-2-amine
CID 80875626
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine (CID 80875228) is 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(Oc2ccccc2[N+](=O)[O-])ncn1.
What is the InChIKey of 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine?
The InChIKey is UCOBLWGQZDMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-7-14-12-8-13(16-9-15-12)20-11-6-4-3-5-10(11)17(18)19/h3-6,8-9H,2,7H2,1H3,(H,14,15,16).
What are the key properties of 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine?
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine has a molecular weight of 274.28 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80875228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).