2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

C18H22N6O2S — CID 25109644

IUPAC2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C18H22N6O2S/c1-10-12-13(27-14(10)18(2,3)25)16(24-4-6-26-7-5-24)23-15(22-12)11-8-20-17(19)21-9-11/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyLJBFUTAAMCZTJC-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.10
Rot. Bonds3

About 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol

2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (PubChem CID 25109644) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
PubChem CID25109644
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
SMILESCc1c(C(C)(C)O)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C18H22N6O2S/c1-10-12-13(27-14(10)18(2,3)25)16(24-4-6-26-7-5-24)23-15(22-12)11-8-20-17(19)21-9-11/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21)
InChIKeyLJBFUTAAMCZTJC-UHFFFAOYSA-N
XLogP2.10
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The IUPAC name of 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol (CID 25109644) is 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is Cc1c(C(C)(C)O)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
The InChIKey is LJBFUTAAMCZTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-10-12-13(27-14(10)18(2,3)25)16(24-4-6-26-7-5-24)23-15(22-12)11-8-20-17(19)21-9-11/h8-9,25H,4-7H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol?
2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol has a molecular weight of 386.48 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol is sourced from PubChem (CID 25109644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).