4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine

C19H21N3OS — CID 118024046

IUPAC4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine
SMILESCc1nc(CCN2CCOCC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H21N3OS/c1-14-20-17(7-8-22-9-11-23-12-10-22)16-13-18(24-19(16)21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyRRSNLIJXUFCVLA-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.54
Rot. Bonds4

About 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine

4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine (PubChem CID 118024046) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine
PubChem CID118024046
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine
SMILESCc1nc(CCN2CCOCC2)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H21N3OS/c1-14-20-17(7-8-22-9-11-23-12-10-22)16-13-18(24-19(16)21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKeyRRSNLIJXUFCVLA-UHFFFAOYSA-N
XLogP3.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine
CID 118022974
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
4-methyl-6-(2-morpholin-4-ylethyl)-2-phenylpyrimidin-5-ol
CID 12595162
2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 23410476
4-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylethyl]morpholine
CID 22695472
4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 4161037
2-methyl-5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]-2,5-diazabicyclo[2.2.2]octan-3-one;hydrochloride
CID 118023758
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344
4-[2-[4-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.1.0]hexa-1,3,5-trien-3-yl]ethyl]morpholine
CID 70114078
2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]-2,5-diazabicyclo[2.2.2]octan-3-one
CID 118023936
(2S)-4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine-2-carboxamide
CID 95101895
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine (CID 118024046) is 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine is Cc1nc(CCN2CCOCC2)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine?
The InChIKey is RRSNLIJXUFCVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-20-17(7-8-22-9-11-23-12-10-22)16-13-18(24-19(16)21-14)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3.
What are the key properties of 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine?
4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine has a molecular weight of 339.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)ethyl]morpholine is sourced from PubChem (CID 118024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).