2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol

C14H22N4O2S — CID 106311471

IUPAC2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
SMILESCCNc1nc(NCCCOCCO)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-15-14-17-12(16-5-4-7-20-8-6-19)11-9-10(2)21-13(11)18-14/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyARMLLMLFVNORSV-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.24
Rot. Bonds9

About 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol

2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol (PubChem CID 106311471) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
PubChem CID106311471
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol
SMILESCCNc1nc(NCCCOCCO)c2cc(C)sc2n1
InChIInChI=1S/C14H22N4O2S/c1-3-15-14-17-12(16-5-4-7-20-8-6-19)11-9-10(2)21-13(11)18-14/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyARMLLMLFVNORSV-UHFFFAOYSA-N
XLogP2.24
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329480
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-[3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propoxy]ethanol
CID 114171977
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol (CID 106311471) is 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol is CCNc1nc(NCCCOCCO)c2cc(C)sc2n1.
What is the InChIKey of 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol?
The InChIKey is ARMLLMLFVNORSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-15-14-17-12(16-5-4-7-20-8-6-19)11-9-10(2)21-13(11)18-14/h9,19H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol?
2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol has a molecular weight of 310.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).