1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol

C9H16N4O — CID 102987342

IUPAC1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyYRARZWYIONPKQI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

About 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol

1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol (PubChem CID 102987342) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
PubChem CID102987342
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyYRARZWYIONPKQI-UHFFFAOYSA-N
XLogP0.49
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(2-methylbutyl)pyrazine-2,3-diamine
CID 102984244
3-N-but-2-ynylpyrazine-2,3-diamine
CID 102987241
3-N-[2-[di(propan-2-yl)amino]ethyl]pyrazine-2,3-diamine
CID 103633778
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
4-[(2-hydroxy-3-methylbutyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136977261
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103880216
3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
3-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyrazine-2,3-diamine
CID 102984055
3-[(3-methyl-2-propan-2-ylbutyl)amino]pyrazine-2-carbothioamide
CID 102906274
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The IUPAC name of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol (CID 102987342) is 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol is CC(C)C(O)CNc1nccnc1N.
What is the InChIKey of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
The InChIKey is YRARZWYIONPKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)7(14)5-13-9-8(10)11-3-4-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol?
1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminopyrazin-2-yl)amino]-3-methylbutan-2-ol is sourced from PubChem (CID 102987342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).