6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

C16H19N5O3 — CID 23489551

IUPAC6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H19N5O3/c1-12(13-5-3-2-4-6-13)19-15-14(21(22)23)16(18-11-17-15)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,17,18,19)
InChIKeyDAYSQLUJDWJEMS-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.39
Rot. Bonds5

About 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine

6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 23489551) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID23489551
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C16H19N5O3/c1-12(13-5-3-2-4-6-13)19-15-14(21(22)23)16(18-11-17-15)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,17,18,19)
InChIKeyDAYSQLUJDWJEMS-UHFFFAOYSA-N
XLogP2.39
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.39
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-(4-methylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492263
6-(2-ethylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492438
6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
CID 23489505
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598
5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23487470
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
N-(1-methoxypropan-2-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490587
4-N,4-N-dimethyl-5-nitro-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 23488900
1-[6-(benzhydrylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 22534593
methyl 2-[(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate
CID 23489555
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine (CID 23489551) is 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine is CC(Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is DAYSQLUJDWJEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-12(13-5-3-2-4-6-13)19-15-14(21(22)23)16(18-11-17-15)20-7-9-24-10-8-20/h2-6,11-12H,7-10H2,1H3,(H,17,18,19).
What are the key properties of 6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine?
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 329.36 g/mol, XLogP of 2.39, 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-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 23489551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).