N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine

C14H20N4OS — CID 103328306

IUPACN-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(COC)C2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18-6-4-10(8-18)9-19-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyIXAGRWXSMIMHPS-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.60
Rot. Bonds5

About N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103328306) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103328306
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(COC)C2)c2ccsc2n1
InChIInChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18-6-4-10(8-18)9-19-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyIXAGRWXSMIMHPS-UHFFFAOYSA-N
XLogP2.60
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
N-ethyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323885
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103325159
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
CID 72839733
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine (CID 103328306) is N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCC(COC)C2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IXAGRWXSMIMHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-15-14-16-12(11-5-7-20-13(11)17-14)18-6-4-10(8-18)9-19-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103328306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).