2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

C24H33N7OS — CID 118346947

IUPAC2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C24H33N7OS/c1-24(2,32)18-6-10-30(11-7-18)14-17-15-33-21-19(16-12-26-22(25)27-13-16)28-23(29-20(17)21)31-8-4-3-5-9-31/h12-13,15,18,32H,3-11,14H2,1-2H3,(H2,25,26,27)
InChIKeyMDJSQQGORCMNFP-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.70
Rot. Bonds5

About 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 118346947) has the molecular formula C24H33N7OS and a molecular weight of 467.64 g/mol. Its IUPAC name is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID118346947
Molecular FormulaC24H33N7OS
Molecular Weight467.64 g/mol
Exact Mass467.25
IUPAC Name2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCCCC4)nc23)CC1
InChIInChI=1S/C24H33N7OS/c1-24(2,32)18-6-10-30(11-7-18)14-17-15-33-21-19(16-12-26-22(25)27-13-16)28-23(29-20(17)21)31-8-4-3-5-9-31/h12-13,15,18,32H,3-11,14H2,1-2H3,(H2,25,26,27)
InChIKeyMDJSQQGORCMNFP-UHFFFAOYSA-N
XLogP3.70
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 118346947) is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCCCC4)nc23)CC1.
What is the InChIKey of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is MDJSQQGORCMNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7OS/c1-24(2,32)18-6-10-30(11-7-18)14-17-15-33-21-19(16-12-26-22(25)27-13-16)28-23(29-20(17)21)31-8-4-3-5-9-31/h12-13,15,18,32H,3-11,14H2,1-2H3,(H2,25,26,27).
What are the key properties of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 467.64 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 118346947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).