N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine

C20H15N5O4 — CID 22537689

IUPACN-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
SMILESCOc1ccccc1Oc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-]
InChIInChI=1S/C20H15N5O4/c1-28-16-9-2-3-10-17(16)29-20-18(25(26)27)19(22-12-23-20)24-15-8-4-7-14-13(15)6-5-11-21-14/h2-12H,1H3,(H,22,23,24)
InChIKeyJJQOTSCAAYRZRP-UHFFFAOYSA-N
MW389.37 g/mol
LogP4.48
Rot. Bonds6

About N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine

N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine (PubChem CID 22537689) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine.

Molecular Properties

Compound NameN-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
PubChem CID22537689
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC NameN-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
SMILESCOc1ccccc1Oc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-]
InChIInChI=1S/C20H15N5O4/c1-28-16-9-2-3-10-17(16)29-20-18(25(26)27)19(22-12-23-20)24-15-8-4-7-14-13(15)6-5-11-21-14/h2-12H,1H3,(H,22,23,24)
InChIKeyJJQOTSCAAYRZRP-UHFFFAOYSA-N
XLogP4.48
TPSA112.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 54.48
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

5-nitro-4-N,6-N-di(quinolin-5-yl)pyrimidine-4,6-diamine
CID 22537644
2-methoxy-N'-[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22536109
4-N-(5-chloro-2-methoxyphenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484714
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
N-(3-chloro-2-methylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 23484110
N-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22537651
N-(2,4-dimethylphenyl)-6-(2-methoxyphenoxy)-5-nitropyrimidin-4-amine
CID 22525693
N-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 22528153
6-N-(3,4-dimethylphenyl)-5-nitro-4-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23484927
N-(2-bromophenyl)-5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
CID 23493822
ethyl 2-[[5-nitro-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoate
CID 22537681
4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The IUPAC name of N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine (CID 22537689) is N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine.
What is the SMILES notation for N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The canonical SMILES for N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine is COc1ccccc1Oc1ncnc(Nc2cccc3ncccc23)c1[N+](=O)[O-].
What is the InChIKey of N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine?
The InChIKey is JJQOTSCAAYRZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-28-16-9-2-3-10-17(16)29-20-18(25(26)27)19(22-12-23-20)24-15-8-4-7-14-13(15)6-5-11-21-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine?
N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine has a molecular weight of 389.37 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine is sourced from PubChem (CID 22537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).