4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile

C18H15N9 — CID 67448956

IUPAC4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile
SMILESCCN(c1ncnc(N)c1C#N)c1nc2cnccn2c1-c1ccccn1
InChIInChI=1S/C18H15N9/c1-2-26(17-12(9-19)16(20)23-11-24-17)18-15(13-5-3-4-6-22-13)27-8-7-21-10-14(27)25-18/h3-8,10-11H,2H2,1H3,(H2,20,23,24)
InChIKeyXRRJBVFBDXOIRW-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.19
Rot. Bonds4

About 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile

4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile (PubChem CID 67448956) has the molecular formula C18H15N9 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile
PubChem CID67448956
Molecular FormulaC18H15N9
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile
SMILESCCN(c1ncnc(N)c1C#N)c1nc2cnccn2c1-c1ccccn1
InChIInChI=1S/C18H15N9/c1-2-26(17-12(9-19)16(20)23-11-24-17)18-15(13-5-3-4-6-22-13)27-8-7-21-10-14(27)25-18/h3-8,10-11H,2H2,1H3,(H2,20,23,24)
InChIKeyXRRJBVFBDXOIRW-UHFFFAOYSA-N
XLogP2.19
TPSA121.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile (CID 67448956) is 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile is CCN(c1ncnc(N)c1C#N)c1nc2cnccn2c1-c1ccccn1.
What is the InChIKey of 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile?
The InChIKey is XRRJBVFBDXOIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N9/c1-2-26(17-12(9-19)16(20)23-11-24-17)18-15(13-5-3-4-6-22-13)27-8-7-21-10-14(27)25-18/h3-8,10-11H,2H2,1H3,(H2,20,23,24).
What are the key properties of 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile?
4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile has a molecular weight of 357.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[ethyl-(3-pyridin-2-ylimidazo[1,2-a]pyrazin-2-yl)amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67448956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).