2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol

C13H20ClN3OS — CID 114268235

IUPAC2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C13H20ClN3OS/c1-3-9(4-2)17(6-7-18)12-11-10(5-8-19-11)15-13(14)16-12/h9,18H,3-8H2,1-2H3
InChIKeyUVKLYMIODXNAFU-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.77
Rot. Bonds6

About 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol

2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol (PubChem CID 114268235) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol
PubChem CID114268235
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C13H20ClN3OS/c1-3-9(4-2)17(6-7-18)12-11-10(5-8-19-11)15-13(14)16-12/h9,18H,3-8H2,1-2H3
InChIKeyUVKLYMIODXNAFU-UHFFFAOYSA-N
XLogP2.77
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol (CID 114268235) is 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nc(Cl)nc2c1SCC2.
What is the InChIKey of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol?
The InChIKey is UVKLYMIODXNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-3-9(4-2)17(6-7-18)12-11-10(5-8-19-11)15-13(14)16-12/h9,18H,3-8H2,1-2H3.
What are the key properties of 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol?
2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol has a molecular weight of 301.84 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 114268235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).