6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine

C18H23N5O2 — CID 23492456

IUPAC6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
SMILESCCC1CCCCN1c1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]
InChIInChI=1S/C18H23N5O2/c1-3-14-9-6-7-11-22(14)18-16(23(24)25)17(19-12-20-18)21-15-10-5-4-8-13(15)2/h4-5,8,10,12,14H,3,6-7,9,11H2,1-2H3,(H,19,20,21)
InChIKeyTZWDMEPDNAALLT-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.21
Rot. Bonds5

About 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine

6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine (PubChem CID 23492456) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
PubChem CID23492456
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
SMILESCCC1CCCCN1c1ncnc(Nc2ccccc2C)c1[N+](=O)[O-]
InChIInChI=1S/C18H23N5O2/c1-3-14-9-6-7-11-22(14)18-16(23(24)25)17(19-12-20-18)21-15-10-5-4-8-13(15)2/h4-5,8,10,12,14H,3,6-7,9,11H2,1-2H3,(H,19,20,21)
InChIKeyTZWDMEPDNAALLT-UHFFFAOYSA-N
XLogP4.21
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.21
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

N-(2-chlorophenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492457
6-(2-ethylpiperidin-1-yl)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480806
2-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23492446
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492438
N-(5-chloro-2,4-dimethoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492531
4-N-cyclopentyl-6-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531987
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492445
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
ethyl 1-[6-(2-methylanilino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate
CID 23494308
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 23492439
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine (CID 23492456) is 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine is CCC1CCCCN1c1ncnc(Nc2ccccc2C)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine?
The InChIKey is TZWDMEPDNAALLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-14-9-6-7-11-22(14)18-16(23(24)25)17(19-12-20-18)21-15-10-5-4-8-13(15)2/h4-5,8,10,12,14H,3,6-7,9,11H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine?
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23492456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).