5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine

C16H20N6O3 — CID 22526120

IUPAC5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCN2CCCCC2)ncnc1Oc1cccnc1
InChIInChI=1S/C16H20N6O3/c23-22(24)14-15(18-7-10-21-8-2-1-3-9-21)19-12-20-16(14)25-13-5-4-6-17-11-13/h4-6,11-12H,1-3,7-10H2,(H,18,19,20)
InChIKeyTXXSBAURYGFWHF-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.47
Rot. Bonds7

About 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine

5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 22526120) has the molecular formula C16H20N6O3 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID22526120
Molecular FormulaC16H20N6O3
Molecular Weight344.37 g/mol
Exact Mass344.16
IUPAC Name5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCN2CCCCC2)ncnc1Oc1cccnc1
InChIInChI=1S/C16H20N6O3/c23-22(24)14-15(18-7-10-21-8-2-1-3-9-21)19-12-20-16(14)25-13-5-4-6-17-11-13/h4-6,11-12H,1-3,7-10H2,(H,18,19,20)
InChIKeyTXXSBAURYGFWHF-UHFFFAOYSA-N
XLogP2.47
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(3,4-dimethylphenoxy)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine
CID 22526153
5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076
N-[(4-fluorophenyl)methyl]-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538076
N-butan-2-yl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538087
6-N-butyl-5-nitro-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 23486711
4-N-[(2-chlorophenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526145
4-N-cycloheptyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526142
5-nitro-N-(2-piperidin-1-ylethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22526127
methyl 4-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]oxybenzoate
CID 23483432
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
4-N-[(4-chlorophenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526075

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine (CID 22526120) is 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine is O=[N+]([O-])c1c(NCCN2CCCCC2)ncnc1Oc1cccnc1.
What is the InChIKey of 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is TXXSBAURYGFWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c23-22(24)14-15(18-7-10-21-8-2-1-3-9-21)19-12-20-16(14)25-13-5-4-6-17-11-13/h4-6,11-12H,1-3,7-10H2,(H,18,19,20).
What are the key properties of 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine?
5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 344.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 22526120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).