N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide

C20H21ClN4O2S — CID 90831532

IUPACN-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
SMILESCc1c(CCNC(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-15(7-8-22-19(26)14-5-3-2-4-6-14)28-17-16(13)23-20(21)24-18(17)25-9-11-27-12-10-25/h2-6H,7-12H2,1H3,(H,22,26)
InChIKeyOGNNUNJGVLIQOZ-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide

N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide (PubChem CID 90831532) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
PubChem CID90831532
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide
SMILESCc1c(CCNC(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-15(7-8-22-19(26)14-5-3-2-4-6-14)28-17-16(13)23-20(21)24-18(17)25-9-11-27-12-10-25/h2-6H,7-12H2,1H3,(H,22,26)
InChIKeyOGNNUNJGVLIQOZ-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 59829525
benzoyl chloride;1-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)-N-methylmethanamine;N-[(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N-methylbenzamide
CID 162026956
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
N-[[2-(6-amino-3-pyridinyl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylbenzamide
CID 25109497
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-[(7-methyl-4-morpholin-4-yl-2-pyrimidin-5-ylthieno[3,2-d]pyrimidin-6-yl)methyl]propanamide
CID 90690493
2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
CID 86624291
4-(2-chloro-7-methyl-6-piperazin-1-ylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 87616465
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
4-methyl-2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 154570012
4-morpholin-4-yl-N-(2-phenylethyl)quinazoline-2-carboxamide
CID 53012870
2-chloro-4-morpholin-4-yl-N-[2-[4-(prop-2-enoylamino)phenyl]ethyl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 58441551

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide?
The IUPAC name of N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide (CID 90831532) is N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide is Cc1c(CCNC(=O)c2ccccc2)sc2c(N3CCOCC3)nc(Cl)nc12.
What is the InChIKey of N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide?
The InChIKey is OGNNUNJGVLIQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-13-15(7-8-22-19(26)14-5-3-2-4-6-14)28-17-16(13)23-20(21)24-18(17)25-9-11-27-12-10-25/h2-6H,7-12H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide?
N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide has a molecular weight of 416.93 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)ethyl]benzamide is sourced from PubChem (CID 90831532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).