N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

C15H12N6O3 — CID 23480933

IUPACN-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])n1
InChIInChI=1S/C15H12N6O3/c1-10-4-2-6-12(19-10)20-14-13(21(22)23)15(18-9-17-14)24-11-5-3-7-16-8-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeyJPDKQKVKZZSQHI-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.02
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 23480933) has the molecular formula C15H12N6O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID23480933
Molecular FormulaC15H12N6O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC NameN-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])n1
InChIInChI=1S/C15H12N6O3/c1-10-4-2-6-12(19-10)20-14-13(21(22)23)15(18-9-17-14)24-11-5-3-7-16-8-11/h2-9H,1H3,(H,17,18,19,20)
InChIKeyJPDKQKVKZZSQHI-UHFFFAOYSA-N
XLogP3.02
TPSA115.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
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

6-(3,4-dimethylphenoxy)-N-(6-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23480966
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N'-[6-[(6-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23480909
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23494864
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-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22534167
N'-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)-2-phenoxyacetohydrazide
CID 22537114
N-[(4-fluorophenyl)methyl]-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22538076
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
6-N-(3,4-dimethylphenyl)-4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
CID 23480767

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (CID 23480933) is N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is Cc1cccc(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is JPDKQKVKZZSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O3/c1-10-4-2-6-12(19-10)20-14-13(21(22)23)15(18-9-17-14)24-11-5-3-7-16-8-11/h2-9H,1H3,(H,17,18,19,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 324.30 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 23480933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).