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

C14H20N4S — CID 103323789

IUPACN-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(C)CC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S/c1-3-15-14-16-12(11-6-9-19-13(11)17-14)18-7-4-10(2)5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyGHGRQYXHOXKGSA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.36
Rot. Bonds3

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

N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103323789) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103323789
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(N2CCC(C)CC2)c2ccsc2n1
InChIInChI=1S/C14H20N4S/c1-3-15-14-16-12(11-6-9-19-13(11)17-14)18-7-4-10(2)5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17)
InChIKeyGHGRQYXHOXKGSA-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674469
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
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
N-ethyl-4-(3,3,4-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327814
[1-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 103325526
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103328302
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
N-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329872

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103323789) is N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(N2CCC(C)CC2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is GHGRQYXHOXKGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-15-14-16-12(11-6-9-19-13(11)17-14)18-7-4-10(2)5-8-18/h6,9-10H,3-5,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103323789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).