4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol

C11H17BrN4O — CID 87114605

IUPAC4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1ncc(Br)nc1NCC1CCC(O)CC1
InChIInChI=1S/C11H17BrN4O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17)4-2-7/h6-8,17H,1-5H2,(H2,13,14)(H,15,16)
InChIKeyNBNYMECXTPMDMW-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.78
Rot. Bonds3

About 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol

4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 87114605) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID87114605
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1ncc(Br)nc1NCC1CCC(O)CC1
InChIInChI=1S/C11H17BrN4O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17)4-2-7/h6-8,17H,1-5H2,(H2,13,14)(H,15,16)
InChIKeyNBNYMECXTPMDMW-UHFFFAOYSA-N
XLogP1.78
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 87114605) is 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol is Nc1ncc(Br)nc1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is NBNYMECXTPMDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c12-9-6-14-10(13)11(16-9)15-5-7-1-3-8(17)4-2-7/h6-8,17H,1-5H2,(H2,13,14)(H,15,16).
What are the key properties of 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol?
4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 301.19 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-amino-6-bromopyrazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 87114605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).