6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine

C10H15N5O2 — CID 80798120

IUPAC6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCC1CCCN1c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-2-7-4-3-5-14(7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyAEJPGAFOXLZKEB-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.35
Rot. Bonds3

About 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine

6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 80798120) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID80798120
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCC1CCCN1c1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O2/c1-2-7-4-3-5-14(7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13)
InChIKeyAEJPGAFOXLZKEB-UHFFFAOYSA-N
XLogP1.35
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.35
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'}

Analyze 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(6-amino-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116640711
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
5-ethyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80797287
4-(2-ethylpiperidin-1-yl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine
CID 23492227
1-(6-amino-5-nitropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80806765
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325
ethyl 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23492412
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
6-(3-ethoxypiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80806123
1-(6-amino-5-nitropyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198658
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
4-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 106029026

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine (CID 80798120) is 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine is CCC1CCCN1c1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is AEJPGAFOXLZKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-7-4-3-5-14(7)10-8(15(16)17)9(11)12-6-13-10/h6-7H,2-5H2,1H3,(H2,11,12,13).
What are the key properties of 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine?
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 237.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80798120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).