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

C13H18N4OS — CID 103325526

IUPAC[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCNc1nc(N2CCCC2CO)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-2-14-13-15-11(10-5-7-19-12(10)16-13)17-6-3-4-9(17)8-18/h5,7,9,18H,2-4,6,8H2,1H3,(H,14,15,16)
InChIKeyQIJJRYAKZHMGRX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.08
Rot. Bonds4

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

[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 103325526) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID103325526
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCNc1nc(N2CCCC2CO)c2ccsc2n1
InChIInChI=1S/C13H18N4OS/c1-2-14-13-15-11(10-5-7-19-12(10)16-13)17-6-3-4-9(17)8-18/h5,7,9,18H,2-4,6,8H2,1H3,(H,14,15,16)
InChIKeyQIJJRYAKZHMGRX-UHFFFAOYSA-N
XLogP2.08
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-aminothieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103325517
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
[1-[2-(methylamino)thieno[3,2-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 112750454
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
CID 103328306
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103325159
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methanol
CID 80794784
[1-[6-(ethylamino)pyrazin-2-yl]pyrrolidin-2-yl]methanol
CID 79033971
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 103325526) is [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCNc1nc(N2CCCC2CO)c2ccsc2n1.
What is the InChIKey of [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is QIJJRYAKZHMGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-14-13-15-11(10-5-7-19-12(10)16-13)17-6-3-4-9(17)8-18/h5,7,9,18H,2-4,6,8H2,1H3,(H,14,15,16).
What are the key properties of [1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 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]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103325526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).