6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine

C12H19N5O3 — CID 80763913

IUPAC6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-3-4-13-11-10(17(18)19)12(15-8-14-11)16-5-6-20-9(2)7-16/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyDJSKLNCANYFNQN-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.43
Rot. Bonds5

About 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine

6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 80763913) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
PubChem CID80763913
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C12H19N5O3/c1-3-4-13-11-10(17(18)19)12(15-8-14-11)16-5-6-20-9(2)7-16/h8-9H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyDJSKLNCANYFNQN-UHFFFAOYSA-N
XLogP1.43
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
ethyl 1-[5-nitro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 23487299
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
CID 23487425
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157
N-ethyl-6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 80816935
[4-[6-(ethylamino)-5-nitropyrimidin-4-yl]-6-methylmorpholin-2-yl]methanol
CID 102939074
N-[2-(4-ethylphenyl)ethyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 3716179
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine (CID 80763913) is 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCOC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is DJSKLNCANYFNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-4-13-11-10(17(18)19)12(15-8-14-11)16-5-6-20-9(2)7-16/h8-9H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine?
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 281.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80763913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).