3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

C10H16N4O — CID 114632842

IUPAC3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cnc(N)cn1
InChIInChI=1S/C10H16N4O/c1-10(2)6(3-7(10)15)14-9-5-12-8(11)4-13-9/h4-7,15H,3H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyDGJWPQZZWGXJEZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds2

About 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114632842) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114632842
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cnc(N)cn1
InChIInChI=1S/C10H16N4O/c1-10(2)6(3-7(10)15)14-9-5-12-8(11)4-13-9/h4-7,15H,3H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyDGJWPQZZWGXJEZ-UHFFFAOYSA-N
XLogP0.63
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 114632842) is 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1Nc1cnc(N)cn1.
What is the InChIKey of 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is DGJWPQZZWGXJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(2)6(3-7(10)15)14-9-5-12-8(11)4-13-9/h4-7,15H,3H2,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminopyrazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114632842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).