5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine

C9H13N3O2 — CID 53375585

IUPAC5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine
SMILESCC1(C)OC[C@H](c2cnc(N)cn2)O1
InChIInChI=1S/C9H13N3O2/c1-9(2)13-5-7(14-9)6-3-12-8(10)4-11-6/h3-4,7H,5H2,1-2H3,(H2,10,12)/t7-/m1/s1
InChIKeyHBIUEOCXLZHJOP-SSDOTTSWSA-N
MW195.22 g/mol
LogP0.88
Rot. Bonds1

About 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine

5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine (PubChem CID 53375585) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine
PubChem CID53375585
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine
SMILESCC1(C)OC[C@H](c2cnc(N)cn2)O1
InChIInChI=1S/C9H13N3O2/c1-9(2)13-5-7(14-9)6-3-12-8(10)4-11-6/h3-4,7H,5H2,1-2H3,(H2,10,12)/t7-/m1/s1
InChIKeyHBIUEOCXLZHJOP-SSDOTTSWSA-N
XLogP0.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?
The IUPAC name of 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine (CID 53375585) is 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?
The canonical SMILES for 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine is CC1(C)OC[C@H](c2cnc(N)cn2)O1.
What is the InChIKey of 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?
The InChIKey is HBIUEOCXLZHJOP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2)13-5-7(14-9)6-3-12-8(10)4-11-6/h3-4,7H,5H2,1-2H3,(H2,10,12)/t7-/m1/s1.
What are the key properties of 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine?
5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine has a molecular weight of 195.22 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-amine is sourced from PubChem (CID 53375585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).