2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol

C19H20ClN3O3S — CID 86624291

IUPAC2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
SMILESCc1c(-c2cccc(OCCO)c2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C19H20ClN3O3S/c1-12-15-17(18(22-19(20)21-15)23-5-8-25-9-6-23)27-16(12)13-3-2-4-14(11-13)26-10-7-24/h2-4,11,24H,5-10H2,1H3
InChIKeyVIQJLUZNVZBRBE-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.53
Rot. Bonds5

About 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol

2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol (PubChem CID 86624291) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
PubChem CID86624291
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
SMILESCc1c(-c2cccc(OCCO)c2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C19H20ClN3O3S/c1-12-15-17(18(22-19(20)21-15)23-5-8-25-9-6-23)27-16(12)13-3-2-4-14(11-13)26-10-7-24/h2-4,11,24H,5-10H2,1H3
InChIKeyVIQJLUZNVZBRBE-UHFFFAOYSA-N
XLogP3.53
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol?
The IUPAC name of 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol (CID 86624291) is 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol?
The canonical SMILES for 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol is Cc1c(-c2cccc(OCCO)c2)sc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol?
The InChIKey is VIQJLUZNVZBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-12-15-17(18(22-19(20)21-15)23-5-8-25-9-6-23)27-16(12)13-3-2-4-14(11-13)26-10-7-24/h2-4,11,24H,5-10H2,1H3.
What are the key properties of 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol?
2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol has a molecular weight of 405.91 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol is sourced from PubChem (CID 86624291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).