6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine

C10H9N5O3 — CID 80883095

IUPAC6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
SMILESCc1ncccc1Oc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O3/c1-6-7(3-2-4-12-6)18-10-8(15(16)17)9(11)13-5-14-10/h2-5H,1H3,(H2,11,13,14)
InChIKeyYRBIXQJAWMDVSD-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.46
Rot. Bonds3

About 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine

6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine (PubChem CID 80883095) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
PubChem CID80883095
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
SMILESCc1ncccc1Oc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O3/c1-6-7(3-2-4-12-6)18-10-8(15(16)17)9(11)13-5-14-10/h2-5H,1H3,(H2,11,13,14)
InChIKeyYRBIXQJAWMDVSD-UHFFFAOYSA-N
XLogP1.46
TPSA117.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
3-(3-chloro-2-nitrophenoxy)-2-methylpyridine
CID 104835444
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
5-bromo-8-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]oxyquinoline
CID 22537587
3-(6-amino-5-nitropyrimidin-4-yl)oxybenzonitrile
CID 80862765

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine (CID 80883095) is 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine is Cc1ncccc1Oc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine?
The InChIKey is YRBIXQJAWMDVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c1-6-7(3-2-4-12-6)18-10-8(15(16)17)9(11)13-5-14-10/h2-5H,1H3,(H2,11,13,14).
What are the key properties of 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine?
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine has a molecular weight of 247.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).