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

C9H16N4O — CID 80653720

IUPAC2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cnc(N)cn1
InChIInChI=1S/C9H16N4O/c1-6(2)7(5-14)13-9-4-11-8(10)3-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyRBVWJMATGZISRH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.49
Rot. Bonds4

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

2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 80653720) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID80653720
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1cnc(N)cn1
InChIInChI=1S/C9H16N4O/c1-6(2)7(5-14)13-9-4-11-8(10)3-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyRBVWJMATGZISRH-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

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Related Compounds

2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 114475973
(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79249750
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
(2S)-2-[(5-bromo-2-pyridinyl)amino]-3-methylbutan-1-ol;hydrochloride
CID 119031686
(2S)-2-[[6-(2-aminoethyl)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 56708033
2-N-(1-methoxypropan-2-yl)pyrazine-2,5-diamine
CID 80652455
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
2-N-(3-methyl-2-propan-2-ylbutyl)pyrazine-2,5-diamine
CID 102908730
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
(2R)-2-[(2-amino-5-bromopyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58796222
2-[[4-(aminomethyl)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79254832

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol (CID 80653720) is 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol is CC(C)C(CO)Nc1cnc(N)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is RBVWJMATGZISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)7(5-14)13-9-4-11-8(10)3-12-9/h3-4,6-7,14H,5H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol?
2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-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 2-[(5-aminopyrazin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80653720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).