N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine

C14H23N5O2 — CID 103504662

IUPACN-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C(C)C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c1-4-15-13-12(19(20)21)14(17-9-16-13)18-7-5-11(6-8-18)10(2)3/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRCGOCDFMDUQOCA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.69
Rot. Bonds5

About N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine

N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 103504662) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID103504662
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
SMILESCCNc1ncnc(N2CCC(C(C)C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H23N5O2/c1-4-15-13-12(19(20)21)14(17-9-16-13)18-7-5-11(6-8-18)10(2)3/h9-11H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyRCGOCDFMDUQOCA-UHFFFAOYSA-N
XLogP2.69
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
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

N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
N-ethyl-5-nitro-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80856674
ethyl 1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23487096
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N-ethyl-6-(3-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 80792384
4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-1-methylpiperazin-2-one
CID 80845205
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 80816935
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine (CID 103504662) is N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine is CCNc1ncnc(N2CCC(C(C)C)CC2)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is RCGOCDFMDUQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-15-13-12(19(20)21)14(17-9-16-13)18-7-5-11(6-8-18)10(2)3/h9-11H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine?
N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 103504662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).