4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine

C13H20N4O3 — CID 106207830

IUPAC4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
SMILESCCNc1nc(C)c([N+](=O)[O-])c(OCCC2CCC2)n1
InChIInChI=1S/C13H20N4O3/c1-3-14-13-15-9(2)11(17(18)19)12(16-13)20-8-7-10-5-4-6-10/h10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySZOWOGRJDBUJPW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds7

About 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine

4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine (PubChem CID 106207830) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
PubChem CID106207830
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
SMILESCCNc1nc(C)c([N+](=O)[O-])c(OCCC2CCC2)n1
InChIInChI=1S/C13H20N4O3/c1-3-14-13-15-9(2)11(17(18)19)12(16-13)20-8-7-10-5-4-6-10/h10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySZOWOGRJDBUJPW-UHFFFAOYSA-N
XLogP2.69
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
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

4-(2-cyclopropylethoxy)-6-methyl-5-nitropyrimidin-2-amine
CID 106207578
N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 114044853
4-(2-cyclobutylethoxy)-5-nitro-N-propylpyrimidin-2-amine
CID 106207746
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
5-bromo-4-(2-cyclopropylethoxy)-N-ethylpyrimidin-2-amine
CID 106207530
2-cyclohexyl-N-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458455
3-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198575
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106207751
4-(2-cyclopropylethoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 106207480
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine (CID 106207830) is 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine is CCNc1nc(C)c([N+](=O)[O-])c(OCCC2CCC2)n1.
What is the InChIKey of 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine?
The InChIKey is SZOWOGRJDBUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-14-13-15-9(2)11(17(18)19)12(16-13)20-8-7-10-5-4-6-10/h10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine?
4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine is sourced from PubChem (CID 106207830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).