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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Related Compounds

(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 143694961
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
CID 90831532
N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337
4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 87616465
[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
4-[2-(1H-imidazo[4,5-b]pyridin-3-ium-6-yl)-7-methyl-6-(3-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123210737
4-(2-chloro-6-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 138682176
N-[3-(5-chloro-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)phenyl]acetamide
CID 86630074
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234

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).