2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone

C22H29N9O2S — CID 56648675

IUPAC2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1c(CN2CCN(C(=O)CN)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
InChIKeyULKIEJUPHQMXQN-UHFFFAOYSA-N
MW483.60 g/mol
LogP0.48
Rot. Bonds5

About 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone

2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 56648675) has the molecular formula C22H29N9O2S and a molecular weight of 483.60 g/mol. Its IUPAC name is 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
PubChem CID56648675
Molecular FormulaC22H29N9O2S
Molecular Weight483.60 g/mol
Exact Mass483.22
IUPAC Name2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
SMILESCc1c(CN2CCN(C(=O)CN)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26)
InChIKeyULKIEJUPHQMXQN-UHFFFAOYSA-N
XLogP0.48
TPSA139.62 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.60
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone (CID 56648675) is 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone is Cc1c(CN2CCN(C(=O)CN)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is ULKIEJUPHQMXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N9O2S/c1-14-16(13-29-2-4-30(5-3-29)17(32)10-23)34-19-18(14)27-20(15-11-25-22(24)26-12-15)28-21(19)31-6-8-33-9-7-31/h11-12H,2-10,13,23H2,1H3,(H2,24,25,26).
What are the key properties of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 483.60 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).