6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine

C12H13ClN4O — CID 80877684

IUPAC6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cncc(Cl)c2)c1C
InChIInChI=1S/C12H13ClN4O/c1-7-11(14-3)16-8(2)17-12(7)18-10-4-9(13)5-15-6-10/h4-6H,1-3H3,(H,14,16,17)
InChIKeyIZOWADFIIFWTKY-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.98
Rot. Bonds3

About 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine

6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80877684) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80877684
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cncc(Cl)c2)c1C
InChIInChI=1S/C12H13ClN4O/c1-7-11(14-3)16-8(2)17-12(7)18-10-4-9(13)5-15-6-10/h4-6H,1-3H3,(H,14,16,17)
InChIKeyIZOWADFIIFWTKY-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(3,5-dichlorophenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80875061
3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-4,5-dimethylpyridazine
CID 64601172
[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine
CID 114217165
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
6-[(5-bromo-3-pyridinyl)oxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80990278
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
CID 80877516

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine (CID 80877684) is 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2cncc(Cl)c2)c1C.
What is the InChIKey of 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is IZOWADFIIFWTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-11(14-3)16-8(2)17-12(7)18-10-4-9(13)5-15-6-10/h4-6H,1-3H3,(H,14,16,17).
What are the key properties of 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine?
6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 264.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-pyridinyl)oxy]-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80877684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).