N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

C22H22N4OS2 — CID 31910848

IUPACN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N4CCOCC4)c23)cc1
InChIInChI=1S/C22H22N4OS2/c1-2-5-16(6-3-1)17-14-29-22-20(17)21(24-15-25-22)23-13-18(19-7-4-12-28-19)26-8-10-27-11-9-26/h1-7,12,14-15,18H,8-11,13H2,(H,23,24,25)/t18-/m1/s1
InChIKeyQQQWNFPHUFTFMY-GOSISDBHSA-N
MW422.58 g/mol
LogP4.91
Rot. Bonds6

About N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 31910848) has the molecular formula C22H22N4OS2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID31910848
Molecular FormulaC22H22N4OS2
Molecular Weight422.58 g/mol
Exact Mass422.12
IUPAC NameN-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N4CCOCC4)c23)cc1
InChIInChI=1S/C22H22N4OS2/c1-2-5-16(6-3-1)17-14-29-22-20(17)21(24-15-25-22)23-13-18(19-7-4-12-28-19)26-8-10-27-11-9-26/h1-7,12,14-15,18H,8-11,13H2,(H,23,24,25)/t18-/m1/s1
InChIKeyQQQWNFPHUFTFMY-GOSISDBHSA-N
XLogP4.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 31910848) is N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is c1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N4CCOCC4)c23)cc1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QQQWNFPHUFTFMY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22N4OS2/c1-2-5-16(6-3-1)17-14-29-22-20(17)21(24-15-25-22)23-13-18(19-7-4-12-28-19)26-8-10-27-11-9-26/h1-7,12,14-15,18H,8-11,13H2,(H,23,24,25)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 422.58 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 31910848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).