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

C23H31N7O2S — CID 71811614

IUPAC2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C23H31N7O2S/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26)
InChIKeyRDLWFNIUHBKNOK-UHFFFAOYSA-N
MW469.62 g/mol
LogP2.55
Rot. Bonds5

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

2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 71811614) has the molecular formula C23H31N7O2S and a molecular weight of 469.62 g/mol. Its IUPAC name is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-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-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID71811614
Molecular FormulaC23H31N7O2S
Molecular Weight469.62 g/mol
Exact Mass469.23
IUPAC Name2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C23H31N7O2S/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26)
InChIKeyRDLWFNIUHBKNOK-UHFFFAOYSA-N
XLogP2.55
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-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-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol (CID 71811614) is 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-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-morpholin-4-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-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is RDLWFNIUHBKNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2S/c1-23(2,31)17-3-5-29(6-4-17)13-16-14-33-20-18(15-11-25-21(24)26-12-15)27-22(28-19(16)20)30-7-9-32-10-8-30/h11-12,14,17,31H,3-10,13H2,1-2H3,(H2,24,25,26).
What are the key properties of 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 469.62 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 71811614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).