4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol

C18H18ClN3O2S — CID 133299493

IUPAC4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1
InChIInChI=1S/C18H18ClN3O2S/c19-13-3-1-12(2-4-13)15-9-14-16(25-15)17(22-11-21-14)20-10-18(23)5-7-24-8-6-18/h1-4,9,11,23H,5-8,10H2,(H,20,21,22)
InChIKeyLQWPHKIYLGUGKQ-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.97
Rot. Bonds4

About 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 133299493) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID133299493
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1
InChIInChI=1S/C18H18ClN3O2S/c19-13-3-1-12(2-4-13)15-9-14-16(25-15)17(22-11-21-14)20-10-18(23)5-7-24-8-6-18/h1-4,9,11,23H,5-8,10H2,(H,20,21,22)
InChIKeyLQWPHKIYLGUGKQ-UHFFFAOYSA-N
XLogP3.97
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

6-(4-chlorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133400003
6-(4-chlorophenyl)-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 133344290
[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazine
CID 16776537
2-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]-N-prop-2-ynylacetamide
CID 133278091
4-[[(6-bromoquinazolin-4-yl)amino]methyl]oxan-4-ol
CID 86946176
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
1-[3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 9104532
4-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 81130220
6-(4-chlorophenyl)-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrimidin-4-amine
CID 133293089
4-[[(5-fluoropyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 172899263
4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol
CID 172900555
3-[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-2-one
CID 71882703

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 133299493) is 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol is OC1(CNc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CCOCC1.
What is the InChIKey of 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is LQWPHKIYLGUGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c19-13-3-1-12(2-4-13)15-9-14-16(25-15)17(22-11-21-14)20-10-18(23)5-7-24-8-6-18/h1-4,9,11,23H,5-8,10H2,(H,20,21,22).
What are the key properties of 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 375.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(4-chlorophenyl)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 133299493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).