5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

C21H29N9O3S — CID 69489467

IUPAC5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESCc1c(CN2CCN(S(C)(=O)=O)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn12
InChIInChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)
InChIKeyXZMAYWPLOYTTDT-UHFFFAOYSA-N
MW487.59 g/mol
LogP-0.01
Rot. Bonds5

About 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (PubChem CID 69489467) has the molecular formula C21H29N9O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
PubChem CID69489467
Molecular FormulaC21H29N9O3S
Molecular Weight487.59 g/mol
Exact Mass487.21
IUPAC Name5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
SMILESCc1c(CN2CCN(S(C)(=O)=O)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn12
InChIInChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)
InChIKeyXZMAYWPLOYTTDT-UHFFFAOYSA-N
XLogP-0.01
TPSA135.08 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.59
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine (CID 69489467) is 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is Cc1c(CN2CCN(S(C)(=O)=O)CC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)cn12.
What is the InChIKey of 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
The InChIKey is XZMAYWPLOYTTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine?
5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine has a molecular weight of 487.59 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine is sourced from PubChem (CID 69489467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).