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

C15H22N4S — CID 62178585

IUPACN-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCC(C)CC2)nc2sccc12
InChIInChI=1S/C15H22N4S/c1-3-16-14-12-6-9-20-15(12)18-13(17-14)10-19-7-4-11(2)5-8-19/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyGHZCTRSZFWLAOV-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.36
Rot. Bonds4

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

N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62178585) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62178585
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CN2CCC(C)CC2)nc2sccc12
InChIInChI=1S/C15H22N4S/c1-3-16-14-12-6-9-20-15(12)18-13(17-14)10-19-7-4-11(2)5-8-19/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyGHZCTRSZFWLAOV-UHFFFAOYSA-N
XLogP3.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565
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
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
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]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
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
4-chloro-2-[(4-methylazepan-1-yl)methyl]thieno[2,3-d]pyrimidine
CID 63623906
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63972968
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62207342

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62178585) is N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CN2CCC(C)CC2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GHZCTRSZFWLAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-3-16-14-12-6-9-20-15(12)18-13(17-14)10-19-7-4-11(2)5-8-19/h6,9,11H,3-5,7-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62178585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).