3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline

C19H15ClN4OS — CID 118720388

IUPAC3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline
SMILESCOc1ccc(-c2nc(CNc3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C19H15ClN4OS/c1-25-17-6-5-12(10-22-17)18-19-15(7-8-26-19)23-16(24-18)11-21-14-4-2-3-13(20)9-14/h2-10,21H,11H2,1H3
InChIKeyXSVGXPOKNGQGIU-UHFFFAOYSA-N
MW382.88 g/mol
LogP5.03
Rot. Bonds5

About 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline

3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline (PubChem CID 118720388) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline
PubChem CID118720388
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline
SMILESCOc1ccc(-c2nc(CNc3cccc(Cl)c3)nc3ccsc23)cn1
InChIInChI=1S/C19H15ClN4OS/c1-25-17-6-5-12(10-22-17)18-19-15(7-8-26-19)23-16(24-18)11-21-14-4-2-3-13(20)9-14/h2-10,21H,11H2,1H3
InChIKeyXSVGXPOKNGQGIU-UHFFFAOYSA-N
XLogP5.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline with MolForge

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-2-amine
CID 164615715
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
5-[6-(2,6-dichloro-4-methoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 58688444
5-[6-(2-chloro-4-pentoxyphenyl)-2-pyrazin-2-ylpyrimidin-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 58688484
N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6-(pyridin-2-yiethynyl)thieno[3,2-d]pyrimidin-4-amine
CID 59982285
4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 46228442
4-N-(2-chlorophenyl)-2-N-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 49792108
5-[6-(2-chloro-4-ethoxyphenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 70697187
N-(2-chlorophenyl)-7-methoxy-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 71569758
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720097
2-(3-Chlorophenyl)sulfonyl-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720380
2-[(3-Chlorophenyl)sulfinylmethyl]-4-(6-methoxy-3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720382

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline?
The IUPAC name of 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline (CID 118720388) is 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline.
What is the SMILES notation for 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline?
The canonical SMILES for 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline is COc1ccc(-c2nc(CNc3cccc(Cl)c3)nc3ccsc23)cn1.
What is the InChIKey of 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline?
The InChIKey is XSVGXPOKNGQGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-25-17-6-5-12(10-22-17)18-19-15(7-8-26-19)23-16(24-18)11-21-14-4-2-3-13(20)9-14/h2-10,21H,11H2,1H3.
What are the key properties of 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline?
3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline has a molecular weight of 382.88 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(6-methoxy-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]methyl]aniline is sourced from PubChem (CID 118720388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).