6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine

C16H19N3O2 — CID 166071613

IUPAC6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
SMILESCc1cc(-c2cncc(N)n2)ccc1OCC1(C)COC1
InChIInChI=1S/C16H19N3O2/c1-11-5-12(13-6-18-7-15(17)19-13)3-4-14(11)21-10-16(2)8-20-9-16/h3-7H,8-10H2,1-2H3,(H2,17,19)
InChIKeyZLCAWSKHAGYXMT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.45
Rot. Bonds4

About 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine

6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine (PubChem CID 166071613) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
PubChem CID166071613
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine
SMILESCc1cc(-c2cncc(N)n2)ccc1OCC1(C)COC1
InChIInChI=1S/C16H19N3O2/c1-11-5-12(13-6-18-7-15(17)19-13)3-4-14(11)21-10-16(2)8-20-9-16/h3-7H,8-10H2,1-2H3,(H2,17,19)
InChIKeyZLCAWSKHAGYXMT-UHFFFAOYSA-N
XLogP2.45
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The IUPAC name of 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine (CID 166071613) is 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The canonical SMILES for 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine is Cc1cc(-c2cncc(N)n2)ccc1OCC1(C)COC1.
What is the InChIKey of 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
The InChIKey is ZLCAWSKHAGYXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-12(13-6-18-7-15(17)19-13)3-4-14(11)21-10-16(2)8-20-9-16/h3-7H,8-10H2,1-2H3,(H2,17,19).
What are the key properties of 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine?
6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine has a molecular weight of 285.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-4-[(3-methyloxetan-3-yl)methoxy]phenyl]pyrazin-2-amine is sourced from PubChem (CID 166071613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).