6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine

C11H17N5O3 — CID 23487272

IUPAC6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-2-3-12-10-9(16(17)18)11(14-8-13-10)15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyNDZZIGBQCAIFPM-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.04
Rot. Bonds5

About 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine

6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine (PubChem CID 23487272) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
PubChem CID23487272
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O3/c1-2-3-12-10-9(16(17)18)11(14-8-13-10)15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,12,13,14)
InChIKeyNDZZIGBQCAIFPM-UHFFFAOYSA-N
XLogP1.04
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.04
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

N-[2-(4-ethylphenyl)ethyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 3716179
6-(2-methylmorpholin-4-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80763913
6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-propylpyrimidin-4-amine
CID 23487425
6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489505
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
N-hexadecyl-5-nitro-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23489157
6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 23492249
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine (CID 23487272) is 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine?
The InChIKey is NDZZIGBQCAIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-2-3-12-10-9(16(17)18)11(14-8-13-10)15-4-6-19-7-5-15/h8H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine?
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine has a molecular weight of 267.29 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 23487272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).