N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

C17H15N5O5 — CID 23494864

IUPACN-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1
InChIInChI=1S/C17H15N5O5/c1-25-11-5-6-14(26-2)13(8-11)21-16-15(22(23)24)17(20-10-19-16)27-12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyINYZRILMLLIAPL-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.33
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (PubChem CID 23494864) has the molecular formula C17H15N5O5 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
PubChem CID23494864
Molecular FormulaC17H15N5O5
Molecular Weight369.34 g/mol
Exact Mass369.11
IUPAC NameN-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1
InChIInChI=1S/C17H15N5O5/c1-25-11-5-6-14(26-2)13(8-11)21-16-15(22(23)24)17(20-10-19-16)27-12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21)
InChIKeyINYZRILMLLIAPL-UHFFFAOYSA-N
XLogP3.33
TPSA121.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 23494897
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
N-(3,5-dimethylphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23479525
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22534167
4-(2-methoxyphenoxy)-5-nitro-6-pyridin-3-yloxypyrimidine
CID 22538100
N-(6-methyl-2-pyridinyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 23480933
6-N-(2,5-dimethoxyphenyl)-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23488685
4-N-benzhydryl-6-N-(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494815
4-(2,5-dimethoxyanilino)-5-nitro-1H-pyrimidin-6-one
CID 135678123
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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine (CID 23494864) is N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is COc1ccc(OC)c(Nc2ncnc(Oc3cccnc3)c2[N+](=O)[O-])c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
The InChIKey is INYZRILMLLIAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O5/c1-25-11-5-6-14(26-2)13(8-11)21-16-15(22(23)24)17(20-10-19-16)27-12-4-3-7-18-9-12/h3-10H,1-2H3,(H,19,20,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine has a molecular weight of 369.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine is sourced from PubChem (CID 23494864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).