3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine

C9H16N4O — CID 102984478

IUPAC3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
SMILESCCC(COC)Nc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-3-7(6-14-2)13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyUXWDKBWXQLIUGR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.90
Rot. Bonds5

About 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine

3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine (PubChem CID 102984478) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
PubChem CID102984478
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
SMILESCCC(COC)Nc1nccnc1N
InChIInChI=1S/C9H16N4O/c1-3-7(6-14-2)13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13)
InChIKeyUXWDKBWXQLIUGR-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
3-N-[(2R)-1-methoxypropan-2-yl]pyrazine-2,3-diamine
CID 131106371
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 106197957
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
5-fluoro-4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837117
4-N-(1-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80837219
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
N-(1-methoxybutan-2-yl)quinazolin-4-amine
CID 20545321
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198795
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine (CID 102984478) is 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine is CCC(COC)Nc1nccnc1N.
What is the InChIKey of 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine?
The InChIKey is UXWDKBWXQLIUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7(6-14-2)13-9-8(10)11-4-5-12-9/h4-5,7H,3,6H2,1-2H3,(H2,10,11)(H,12,13).
What are the key properties of 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine?
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine has a molecular weight of 196.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 102984478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).