[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol

C18H23N3O2 — CID 164632486

IUPAC[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol
SMILESCOc1nccnc1CN[C@H](c1ccccc1)C1(CO)CCC1
InChIInChI=1S/C18H23N3O2/c1-23-17-15(19-10-11-20-17)12-21-16(14-6-3-2-4-7-14)18(13-22)8-5-9-18/h2-4,6-7,10-11,16,21-22H,5,8-9,12-13H2,1H3/t16-/m1/s1
InChIKeyFYQKVSBUSZEXLN-MRXNPFEDSA-N
MW313.40 g/mol
LogP2.48
Rot. Bonds7

About [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol

[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol (PubChem CID 164632486) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol
PubChem CID164632486
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol
SMILESCOc1nccnc1CN[C@H](c1ccccc1)C1(CO)CCC1
InChIInChI=1S/C18H23N3O2/c1-23-17-15(19-10-11-20-17)12-21-16(14-6-3-2-4-7-14)18(13-22)8-5-9-18/h2-4,6-7,10-11,16,21-22H,5,8-9,12-13H2,1H3/t16-/m1/s1
InChIKeyFYQKVSBUSZEXLN-MRXNPFEDSA-N
XLogP2.48
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol?
The IUPAC name of [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol (CID 164632486) is [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol is COc1nccnc1CN[C@H](c1ccccc1)C1(CO)CCC1.
What is the InChIKey of [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol?
The InChIKey is FYQKVSBUSZEXLN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-15(19-10-11-20-17)12-21-16(14-6-3-2-4-7-14)18(13-22)8-5-9-18/h2-4,6-7,10-11,16,21-22H,5,8-9,12-13H2,1H3/t16-/m1/s1.
What are the key properties of [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol?
[1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol has a molecular weight of 313.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(R)-[(3-methoxypyrazin-2-yl)methylamino]-phenylmethyl]cyclobutyl]methanol is sourced from PubChem (CID 164632486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).