6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine

C16H19N5O3 — CID 23489505

IUPAC6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCc2ccccc2)ncnc1N1CCOCC1
InChIInChI=1S/C16H19N5O3/c22-21(23)14-15(17-7-6-13-4-2-1-3-5-13)18-12-19-16(14)20-8-10-24-11-9-20/h1-5,12H,6-11H2,(H,17,18,19)
InChIKeyOKLHUWYWURVITB-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.88
Rot. Bonds6

About 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine

6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 23489505) 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-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID23489505
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine
SMILESO=[N+]([O-])c1c(NCCc2ccccc2)ncnc1N1CCOCC1
InChIInChI=1S/C16H19N5O3/c22-21(23)14-15(17-7-6-13-4-2-1-3-5-13)18-12-19-16(14)20-8-10-24-11-9-20/h1-5,12H,6-11H2,(H,17,18,19)
InChIKeyOKLHUWYWURVITB-UHFFFAOYSA-N
XLogP1.88
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.88
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-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
6-morpholin-4-yl-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 3711625
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 22526197
6-(azepan-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 23489869
N-benzyl-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 23488217
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
ethyl 1-[5-nitro-6-(2-phenylethylamino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 23489899

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine (CID 23489505) is 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine is O=[N+]([O-])c1c(NCCc2ccccc2)ncnc1N1CCOCC1.
What is the InChIKey of 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is OKLHUWYWURVITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-21(23)14-15(17-7-6-13-4-2-1-3-5-13)18-12-19-16(14)20-8-10-24-11-9-20/h1-5,12H,6-11H2,(H,17,18,19).
What are the key properties of 6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine?
6-morpholin-4-yl-5-nitro-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 329.36 g/mol, XLogP of 1.88, 6 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-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 23489505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).