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

C14H20N4S — CID 62184565

IUPACN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCC(C)C2)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-3-15-13-11-5-7-19-14(11)17-12(16-13)9-18-6-4-10(2)8-18/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyCZYBSDYHEQTDGO-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.96
Rot. Bonds4

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

N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62184565) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62184565
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCC(C)C2)nc2sccc12
InChIInChI=1S/C14H20N4S/c1-3-15-13-11-5-7-19-14(11)17-12(16-13)9-18-6-4-10(2)8-18/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17)
InChIKeyCZYBSDYHEQTDGO-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-[(3-methylpyrrolidin-1-yl)methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62181908
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673897
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 104960510
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178577
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62207342
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683
4-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-3-methylpiperazin-2-one
CID 63606336

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62184565) is N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CCC(C)C2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CZYBSDYHEQTDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-15-13-11-5-7-19-14(11)17-12(16-13)9-18-6-4-10(2)8-18/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62184565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).