N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

C20H16N6O2 — CID 59374235

IUPACN-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCOc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1
InChIInChI=1S/C20H16N6O2/c1-27-20-24-12-14(13-25-20)18-19(23-11-10-22-18)28-16-7-5-15(6-8-16)26-17-4-2-3-9-21-17/h2-13H,1H3,(H,21,26)
InChIKeyPDCMTRVXJKBSPY-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.87
Rot. Bonds6

About N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine

N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (PubChem CID 59374235) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
PubChem CID59374235
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine
SMILESCOc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1
InChIInChI=1S/C20H16N6O2/c1-27-20-24-12-14(13-25-20)18-19(23-11-10-22-18)28-16-7-5-15(6-8-16)26-17-4-2-3-9-21-17/h2-13H,1H3,(H,21,26)
InChIKeyPDCMTRVXJKBSPY-UHFFFAOYSA-N
XLogP3.87
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The IUPAC name of N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine (CID 59374235) is N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine.
What is the SMILES notation for N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The canonical SMILES for N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is COc1ncc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cn1.
What is the InChIKey of N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
The InChIKey is PDCMTRVXJKBSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-27-20-24-12-14(13-25-20)18-19(23-11-10-22-18)28-16-7-5-15(6-8-16)26-17-4-2-3-9-21-17/h2-13H,1H3,(H,21,26).
What are the key properties of N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine?
N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine has a molecular weight of 372.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]oxyphenyl]pyridin-2-amine is sourced from PubChem (CID 59374235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).