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

C18H19N3OS — CID 133403799

IUPAC2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCOC2c2ccccc2)c2ccsc2n1
InChIInChI=1S/C18H19N3OS/c1-2-15-20-17(13-9-11-23-18(13)21-15)19-14-8-10-22-16(14)12-6-4-3-5-7-12/h3-7,9,11,14,16H,2,8,10H2,1H3,(H,19,20,21)
InChIKeyJPGMUAAYVDKTNE-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.20
Rot. Bonds4

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

2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133403799) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID133403799
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NC2CCOC2c2ccccc2)c2ccsc2n1
InChIInChI=1S/C18H19N3OS/c1-2-15-20-17(13-9-11-23-18(13)21-15)19-14-8-10-22-16(14)12-6-4-3-5-7-12/h3-7,9,11,14,16H,2,8,10H2,1H3,(H,19,20,21)
InChIKeyJPGMUAAYVDKTNE-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133404349
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
N-ethyl-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-1-carboxamide
CID 133404333
2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138057545
2-ethyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403059
2-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133403719
2-ethyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403928
(3S)-3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)piperidin-2-one
CID 99634099
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-morpholin-4-yl-3-phenylpropan-1-one
CID 133474366
2-ethyl-N-(2-pyrrol-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403949
3-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 133403799) is 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NC2CCOC2c2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JPGMUAAYVDKTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-15-20-17(13-9-11-23-18(13)21-15)19-14-8-10-22-16(14)12-6-4-3-5-7-12/h3-7,9,11,14,16H,2,8,10H2,1H3,(H,19,20,21).
What are the key properties of 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 325.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133403799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).