(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol

C14H22N2O4 — CID 116753341

IUPAC(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
SMILESCOc1cnc(C(O)C2(OC)CCCCC2)c(OC)n1
InChIInChI=1S/C14H22N2O4/c1-18-10-9-15-11(13(16-10)19-2)12(17)14(20-3)7-5-4-6-8-14/h9,12,17H,4-8H2,1-3H3
InChIKeyVVFFYLQAKQKHMV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.88
Rot. Bonds5

About (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol

(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol (PubChem CID 116753341) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
PubChem CID116753341
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol
SMILESCOc1cnc(C(O)C2(OC)CCCCC2)c(OC)n1
InChIInChI=1S/C14H22N2O4/c1-18-10-9-15-11(13(16-10)19-2)12(17)14(20-3)7-5-4-6-8-14/h9,12,17H,4-8H2,1-3H3
InChIKeyVVFFYLQAKQKHMV-UHFFFAOYSA-N
XLogP1.88
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2,3,3-trimethylbutan-1-ol
CID 114270663
2-cyclopropyl-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 115830716
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 116711920
(3,5-dimethoxypyrazin-2-yl)-(2,6-dimethyl-4-pyridinyl)methanol
CID 107502705
(3,5-dimethoxypyrazin-2-yl)-(2,2-dimethylcyclopentyl)methanamine
CID 107190660
1-(3,5-dimethoxypyrazin-2-yl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107190656
1-(3,5-dimethoxypyrazin-2-yl)-3-ethylpentane-1,2-diol
CID 103459914
(3,5-dimethoxypyrazin-2-yl)-(1,3-thiazol-4-yl)methanol
CID 113404120
1-(3,5-dimethoxypyrazin-2-yl)-2-methylpropan-1-amine
CID 105031303
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxypropan-1-ol
CID 113404113
(3,5-dimethoxypyrazin-2-yl)-(1-methylimidazol-4-yl)methanol
CID 107978634

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol (CID 116753341) is (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol is COc1cnc(C(O)C2(OC)CCCCC2)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol?
The InChIKey is VVFFYLQAKQKHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-10-9-15-11(13(16-10)19-2)12(17)14(20-3)7-5-4-6-8-14/h9,12,17H,4-8H2,1-3H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol?
(3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol has a molecular weight of 282.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(1-methoxycyclohexyl)methanol is sourced from PubChem (CID 116753341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).