4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine

C13H20N4O3 — CID 106207746

IUPAC4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc([N+](=O)[O-])c(OCCC2CCC2)n1
InChIInChI=1S/C13H20N4O3/c1-2-7-14-13-15-9-11(17(18)19)12(16-13)20-8-6-10-4-3-5-10/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyIAHZCEUPDLMWQE-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.78
Rot. Bonds8

About 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine

4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine (PubChem CID 106207746) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
PubChem CID106207746
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc([N+](=O)[O-])c(OCCC2CCC2)n1
InChIInChI=1S/C13H20N4O3/c1-2-7-14-13-15-9-11(17(18)19)12(16-13)20-8-6-10-4-3-5-10/h9-10H,2-8H2,1H3,(H,14,15,16)
InChIKeyIAHZCEUPDLMWQE-UHFFFAOYSA-N
XLogP2.78
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.78
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

2-chloro-4-(2-cyclopropylethoxy)-5-nitropyrimidine
CID 106201301
6-(2-cyclobutylethoxy)-4-nitro-N-propylpyridin-2-amine
CID 106207668
4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
CID 106207830
4-(2-cyclobutylethoxy)-6-propoxy-N-propyl-1,3,5-triazin-2-amine
CID 106207720
4-N-butyl-5-nitro-2-N-propylpyrimidine-2,4-diamine
CID 114044202
2,3-dimethyl-3-[[5-nitro-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106198498
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
CID 106207776
6-(2-cyclobutylethoxy)-N-propylpyrazin-2-amine
CID 114158245
5-bromo-N-(2-cyclobutylethyl)-4-methoxypyrimidin-2-amine
CID 103748709
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitro-N-propylpyridin-2-amine
CID 102741257

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine (CID 106207746) is 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine is CCCNc1ncc([N+](=O)[O-])c(OCCC2CCC2)n1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine?
The InChIKey is IAHZCEUPDLMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-7-14-13-15-9-11(17(18)19)12(16-13)20-8-6-10-4-3-5-10/h9-10H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine?
4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine is sourced from PubChem (CID 106207746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).