3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine

C14H17N7 — CID 66548440

IUPAC3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nccc(-c2cnc3c(NC(C)C)nccn23)n1
InChIInChI=1S/C14H17N7/c1-9(2)19-12-13-18-8-11(21(13)7-6-16-12)10-4-5-17-14(15-3)20-10/h4-9H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeySTQYAYDFSSBYLL-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.05
Rot. Bonds4

About 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine

3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 66548440) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
PubChem CID66548440
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nccc(-c2cnc3c(NC(C)C)nccn23)n1
InChIInChI=1S/C14H17N7/c1-9(2)19-12-13-18-8-11(21(13)7-6-16-12)10-4-5-17-14(15-3)20-10/h4-9H,1-3H3,(H,16,19)(H,15,17,20)
InChIKeySTQYAYDFSSBYLL-UHFFFAOYSA-N
XLogP2.05
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine (CID 66548440) is 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine is CNc1nccc(-c2cnc3c(NC(C)C)nccn23)n1.
What is the InChIKey of 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is STQYAYDFSSBYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-9(2)19-12-13-18-8-11(21(13)7-6-16-12)10-4-5-17-14(15-3)20-10/h4-9H,1-3H3,(H,16,19)(H,15,17,20).
What are the key properties of 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine?
3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 283.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)pyrimidin-4-yl]-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 66548440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).