[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

C15H22N4OS — CID 103329315

IUPAC[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCCNc1nc(NCC2(CO)CCCC2)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-2-16-14-18-12(11-5-8-21-13(11)19-14)17-9-15(10-20)6-3-4-7-15/h5,8,20H,2-4,6-7,9-10H2,1H3,(H2,16,17,18,19)
InChIKeySTLMOERDYBXBOU-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.09
Rot. Bonds6

About [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 103329315) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID103329315
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCCNc1nc(NCC2(CO)CCCC2)c2ccsc2n1
InChIInChI=1S/C15H22N4OS/c1-2-16-14-18-12(11-5-8-21-13(11)19-14)17-9-15(10-20)6-3-4-7-15/h5,8,20H,2-4,6-7,9-10H2,1H3,(H2,16,17,18,19)
InChIKeySTLMOERDYBXBOU-UHFFFAOYSA-N
XLogP3.09
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 103329315) is [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is CCNc1nc(NCC2(CO)CCCC2)c2ccsc2n1.
What is the InChIKey of [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is STLMOERDYBXBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-2-16-14-18-12(11-5-8-21-13(11)19-14)17-9-15(10-20)6-3-4-7-15/h5,8,20H,2-4,6-7,9-10H2,1H3,(H2,16,17,18,19).
What are the key properties of [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 306.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 103329315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).