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

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

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Related Compounds

2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268199
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268192
2-[(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 58071597
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 63271902
N-[1-(2-chloro-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 150771786
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80972297
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811446
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118
2-[(6-chloro-5-propylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 55229696
2-chloro-4-(4-propylpiperidin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidine
CID 114268258

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).