tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H29N7O3S — CID 71811744

IUPACtert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C24H29N7O3S/c1-24(2,3)34-23(32)31-6-4-15(5-7-31)17-14-35-20-18(16-12-26-21(25)27-13-16)28-22(29-19(17)20)30-8-10-33-11-9-30/h4,12-14H,5-11H2,1-3H3,(H2,25,26,27)
InChIKeyMJWSKAWTLFKXSW-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.59
Rot. Bonds3

About tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 71811744) has the molecular formula C24H29N7O3S and a molecular weight of 495.61 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID71811744
Molecular FormulaC24H29N7O3S
Molecular Weight495.61 g/mol
Exact Mass495.21
IUPAC Nametert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C24H29N7O3S/c1-24(2,3)34-23(32)31-6-4-15(5-7-31)17-14-35-20-18(16-12-26-21(25)27-13-16)28-22(29-19(17)20)30-8-10-33-11-9-30/h4,12-14H,5-11H2,1-3H3,(H2,25,26,27)
InChIKeyMJWSKAWTLFKXSW-UHFFFAOYSA-N
XLogP3.59
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 71811744) is tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2csc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is MJWSKAWTLFKXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S/c1-24(2,3)34-23(32)31-6-4-15(5-7-31)17-14-35-20-18(16-12-26-21(25)27-13-16)28-22(29-19(17)20)30-8-10-33-11-9-30/h4,12-14H,5-11H2,1-3H3,(H2,25,26,27).
What are the key properties of tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 495.61 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 71811744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).