3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine

C16H20N4O3 — CID 164635819

IUPAC3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine
SMILESCOc1nccnc1N[C@H]1CCOC[C@@H]1OCc1ccccn1
InChIInChI=1S/C16H20N4O3/c1-21-16-15(18-7-8-19-16)20-13-5-9-22-11-14(13)23-10-12-4-2-3-6-17-12/h2-4,6-8,13-14H,5,9-11H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyHFJBGFQTHXYLHC-KBPBESRZSA-N
MW316.36 g/mol
LogP1.67
Rot. Bonds6

About 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine

3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine (PubChem CID 164635819) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine
PubChem CID164635819
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine
SMILESCOc1nccnc1N[C@H]1CCOC[C@@H]1OCc1ccccn1
InChIInChI=1S/C16H20N4O3/c1-21-16-15(18-7-8-19-16)20-13-5-9-22-11-14(13)23-10-12-4-2-3-6-17-12/h2-4,6-8,13-14H,5,9-11H2,1H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyHFJBGFQTHXYLHC-KBPBESRZSA-N
XLogP1.67
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine (CID 164635819) is 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine is COc1nccnc1N[C@H]1CCOC[C@@H]1OCc1ccccn1.
What is the InChIKey of 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine?
The InChIKey is HFJBGFQTHXYLHC-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-21-16-15(18-7-8-19-16)20-13-5-9-22-11-14(13)23-10-12-4-2-3-6-17-12/h2-4,6-8,13-14H,5,9-11H2,1H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine?
3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3R,4S)-3-(pyridin-2-ylmethoxy)oxan-4-yl]pyrazin-2-amine is sourced from PubChem (CID 164635819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).