2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol

C13H18N4OS — CID 63309935

IUPAC2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C13H18N4OS/c18-8-7-16-3-1-4-17(6-5-16)12-11-2-9-19-13(11)15-10-14-12/h2,9-10,18H,1,3-8H2
InChIKeyVCTGOMKFZWGUDM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.20
Rot. Bonds3

About 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol

2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol (PubChem CID 63309935) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
PubChem CID63309935
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
SMILESOCCN1CCCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C13H18N4OS/c18-8-7-16-3-1-4-17(6-5-16)12-11-2-9-19-13(11)15-10-14-12/h2,9-10,18H,1,3-8H2
InChIKeyVCTGOMKFZWGUDM-UHFFFAOYSA-N
XLogP1.20
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol with MolForge

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Related Compounds

2-[4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107224080
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
N-(methylcarbamoyl)-3-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 86931052
2-[4-(6-amino-5-methoxypyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226746
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
CID 95318735
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 86921884
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329

Frequently Asked Questions

What is the IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol?
The IUPAC name of 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol (CID 63309935) is 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol.
What is the SMILES notation for 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol?
The canonical SMILES for 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol is OCCN1CCCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol?
The InChIKey is VCTGOMKFZWGUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c18-8-7-16-3-1-4-17(6-5-16)12-11-2-9-19-13(11)15-10-14-12/h2,9-10,18H,1,3-8H2.
What are the key properties of 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol?
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol has a molecular weight of 278.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol is sourced from PubChem (CID 63309935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).