N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine

C15H10ClN5O3 — CID 22537398

IUPACN-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C15H10ClN5O3/c16-13-11(7-4-8-17-13)20-14-12(21(22)23)15(19-9-18-14)24-10-5-2-1-3-6-10/h1-9H,(H,18,19,20)
InChIKeyFIKJPSUAMCBEAU-UHFFFAOYSA-N
MW343.73 g/mol
LogP3.97
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine

N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine (PubChem CID 22537398) has the molecular formula C15H10ClN5O3 and a molecular weight of 343.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
PubChem CID22537398
Molecular FormulaC15H10ClN5O3
Molecular Weight343.73 g/mol
Exact Mass343.05
IUPAC NameN-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine
SMILESO=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1Oc1ccccc1
InChIInChI=1S/C15H10ClN5O3/c16-13-11(7-4-8-17-13)20-14-12(21(22)23)15(19-9-18-14)24-10-5-2-1-3-6-10/h1-9H,(H,18,19,20)
InChIKeyFIKJPSUAMCBEAU-UHFFFAOYSA-N
XLogP3.97
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22530963
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22537149
4-N-(2-chloro-3-pyridinyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23487047
N-(2-bromophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22532209
N-(3-chlorophenyl)-5-nitro-6-phenoxypyrimidin-4-amine
CID 22532545
4-N-(2-chloro-3-pyridinyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 22539023
N'-[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 22535060
N-(2,4-dichlorophenyl)-5-nitro-6-pyridin-3-yloxypyrimidin-4-amine
CID 22534167
4-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22539093
6-N-(2-chloro-3-pyridinyl)-4-N-(2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23495058
6-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532089
6-(4-bromophenoxy)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482786

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine (CID 22537398) is N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine is O=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1Oc1ccccc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine?
The InChIKey is FIKJPSUAMCBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O3/c16-13-11(7-4-8-17-13)20-14-12(21(22)23)15(19-9-18-14)24-10-5-2-1-3-6-10/h1-9H,(H,18,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine?
N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine has a molecular weight of 343.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-nitro-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 22537398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).