N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine

C16H13N5O3 — CID 22527014

IUPACN-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O3/c1-20(12-6-3-2-4-7-12)15-14(21(22)23)16(19-11-18-15)24-13-8-5-9-17-10-13/h2-11H,1H3
InChIKeyHZPZIFKUTHLFJK-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine

N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 22527014) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID22527014
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC NameN-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCN(c1ccccc1)c1ncnc(Oc2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O3/c1-20(12-6-3-2-4-7-12)15-14(21(22)23)16(19-11-18-15)24-13-8-5-9-17-10-13/h2-11H,1H3
InChIKeyHZPZIFKUTHLFJK-UHFFFAOYSA-N
XLogP3.34
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
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-(3,4-dimethylphenoxy)-N-methyl-5-nitro-N-phenylpyrimidin-4-amine
CID 22527047
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N-butan-2-yl-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538087
5-nitro-N-(4-phenyldiazenylphenyl)-6-pyridin-3-yloxypyrimidin-4-amine
CID 22529109
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
5-nitro-4-pyridin-3-yloxy-1H-pyrimidin-6-one
CID 22537481
N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23494864
4-(4-benzylpiperazin-1-yl)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 23491289
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
4-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine (CID 22527014) is N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine is CN(c1ccccc1)c1ncnc(Oc2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is HZPZIFKUTHLFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-20(12-6-3-2-4-7-12)15-14(21(22)23)16(19-11-18-15)24-13-8-5-9-17-10-13/h2-11H,1H3.
What are the key properties of N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine?
N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 323.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-phenyl-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 22527014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).