4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine

C13H13N5O4 — CID 3864052

IUPAC4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
SMILESO=[N+]([O-])c1c(Oc2cccnc2)ncnc1N1CCOCC1
InChIInChI=1S/C13H13N5O4/c19-18(20)11-12(17-4-6-21-7-5-17)15-9-16-13(11)22-10-2-1-3-14-8-10/h1-3,8-9H,4-7H2
InChIKeyHJJLMZPPRARIOJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.41
Rot. Bonds4

About 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine

4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine (PubChem CID 3864052) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
PubChem CID3864052
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
SMILESO=[N+]([O-])c1c(Oc2cccnc2)ncnc1N1CCOCC1
InChIInChI=1S/C13H13N5O4/c19-18(20)11-12(17-4-6-21-7-5-17)15-9-16-13(11)22-10-2-1-3-14-8-10/h1-3,8-9H,4-7H2
InChIKeyHJJLMZPPRARIOJ-UHFFFAOYSA-N
XLogP1.41
TPSA103.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

4-(4-benzylpiperazin-1-yl)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 23491289
4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
CID 23489641
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
1-(5-nitro-6-phenoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22537397
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
4-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
1-[7-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)oxy-1-benzofuran-2-yl]ethanone
CID 3332008
5-nitro-N-(2-piperidin-1-ylethyl)-6-pyridin-3-yloxypyrimidin-4-amine
CID 22526120
N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine
CID 22527014
N-butan-2-yl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538087
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine (CID 3864052) is 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine is O=[N+]([O-])c1c(Oc2cccnc2)ncnc1N1CCOCC1.
What is the InChIKey of 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine?
The InChIKey is HJJLMZPPRARIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c19-18(20)11-12(17-4-6-21-7-5-17)15-9-16-13(11)22-10-2-1-3-14-8-10/h1-3,8-9H,4-7H2.
What are the key properties of 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine?
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine has a molecular weight of 303.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 3864052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).