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

C18H28N4OS — CID 133403719

IUPAC2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCN(CCOC(C)C)CC2)c2ccsc2n1
InChIInChI=1S/C18H28N4OS/c1-4-16-20-17(15-7-12-24-18(15)21-16)19-14-5-8-22(9-6-14)10-11-23-13(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,19,20,21)
InChIKeyURNFWPHPGLFYDD-UHFFFAOYSA-N
MW348.52 g/mol
LogP3.56
Rot. Bonds7

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

2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403719) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403719
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCN(CCOC(C)C)CC2)c2ccsc2n1
InChIInChI=1S/C18H28N4OS/c1-4-16-20-17(15-7-12-24-18(15)21-16)19-14-5-8-22(9-6-14)10-11-23-13(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,19,20,21)
InChIKeyURNFWPHPGLFYDD-UHFFFAOYSA-N
XLogP3.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403059
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
2-ethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404269
2-ethyl-N-(2-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403347
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
6-methoxy-2,5-dimethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]pyrimidin-4-amine
CID 133431769
2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133404349
3-cyclohexyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 133405482
1-[[4-(ethylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]pyrrolidin-3-ol
CID 55131369
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62184565

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 133403719) is 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CCN(CCOC(C)C)CC2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is URNFWPHPGLFYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-4-16-20-17(15-7-12-24-18(15)21-16)19-14-5-8-22(9-6-14)10-11-23-13(2)3/h7,12-14H,4-6,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.52 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).