6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine

C17H28N6O3 — CID 23492249

IUPAC6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NCCCN3CCOCC3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C17H28N6O3/c1-14-3-7-22(8-4-14)17-15(23(24)25)16(19-13-20-17)18-5-2-6-21-9-11-26-12-10-21/h13-14H,2-12H2,1H3,(H,18,19,20)
InChIKeyQUMWBIPASXGGRN-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.76
Rot. Bonds7

About 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine

6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 23492249) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
PubChem CID23492249
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NCCCN3CCOCC3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C17H28N6O3/c1-14-3-7-22(8-4-14)17-15(23(24)25)16(19-13-20-17)18-5-2-6-21-9-11-26-12-10-21/h13-14H,2-12H2,1H3,(H,18,19,20)
InChIKeyQUMWBIPASXGGRN-UHFFFAOYSA-N
XLogP1.76
TPSA96.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 22526197
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
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
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487909
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-[2-(4-ethylphenyl)ethyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 3716179

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine (CID 23492249) is 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine is CC1CCN(c2ncnc(NCCCN3CCOCC3)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is QUMWBIPASXGGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-14-3-7-22(8-4-14)17-15(23(24)25)16(19-13-20-17)18-5-2-6-21-9-11-26-12-10-21/h13-14H,2-12H2,1H3,(H,18,19,20).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine?
6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).