3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol

C16H21N3O — CID 71861840

IUPAC3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol
SMILESCc1cnc(CN(CC(C)C)c2cccc(O)c2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)10-19(15-5-4-6-16(20)7-15)11-14-9-17-13(3)8-18-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeyLNKRWSZWNAMSER-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds5

About 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol

3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol (PubChem CID 71861840) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol.

Molecular Properties

Compound Name3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol
PubChem CID71861840
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol
SMILESCc1cnc(CN(CC(C)C)c2cccc(O)c2)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)10-19(15-5-4-6-16(20)7-15)11-14-9-17-13(3)8-18-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeyLNKRWSZWNAMSER-UHFFFAOYSA-N
XLogP3.15
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol?
The IUPAC name of 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol (CID 71861840) is 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol.
What is the SMILES notation for 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol?
The canonical SMILES for 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol is Cc1cnc(CN(CC(C)C)c2cccc(O)c2)cn1.
What is the InChIKey of 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol?
The InChIKey is LNKRWSZWNAMSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)10-19(15-5-4-6-16(20)7-15)11-14-9-17-13(3)8-18-14/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol?
3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol has a molecular weight of 271.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-[(5-methylpyrazin-2-yl)methyl]amino]phenol is sourced from PubChem (CID 71861840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).