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

C8H14N4O — CID 131154572

IUPAC(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1nccnc1N
InChIInChI=1S/C8H14N4O/c1-2-6(5-13)12-8-7(9)10-3-4-11-8/h3-4,6,13H,2,5H2,1H3,(H2,9,10)(H,11,12)/t6-/m0/s1
InChIKeyTZIJLUROEFEZID-LURJTMIESA-N
MW182.23 g/mol
LogP0.24
Rot. Bonds4

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

(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol (PubChem CID 131154572) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
PubChem CID131154572
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1nccnc1N
InChIInChI=1S/C8H14N4O/c1-2-6(5-13)12-8-7(9)10-3-4-11-8/h3-4,6,13H,2,5H2,1H3,(H2,9,10)(H,11,12)/t6-/m0/s1
InChIKeyTZIJLUROEFEZID-LURJTMIESA-N
XLogP0.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
2-[(5-amino-7-methylisoquinolin-1-yl)amino]butan-1-ol
CID 82570347
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
2-[[3-(hydroxymethyl)-2-pyridinyl]amino]butan-1-ol
CID 82341853
(2S)-2-[(3-chloro-2-pyridinyl)amino]butan-1-ol
CID 93033854
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[[(2S)-1-hydroxybutan-2-yl]amino]pyridine-3-sulfonamide
CID 133434655
2-(pyrazin-2-ylamino)butan-1-ol
CID 43388780
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
2-[[4-(1-hydroxybutan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 173320300
3-N-(2-methylbutyl)pyrazine-2,3-diamine
CID 102984244
3-(1-hydroxybutan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62940182

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol (CID 131154572) is (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol is CC[C@@H](CO)Nc1nccnc1N.
What is the InChIKey of (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol?
The InChIKey is TZIJLUROEFEZID-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-6(5-13)12-8-7(9)10-3-4-11-8/h3-4,6,13H,2,5H2,1H3,(H2,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol?
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol has a molecular weight of 182.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 131154572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).