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

C20H23N3O2S — CID 118022974

IUPAC(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine
SMILESCOC[C@H]1COCCN1Cc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C20H23N3O2S/c1-14-21-18(11-23-8-9-25-13-16(23)12-24-2)17-10-19(26-20(17)22-14)15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyTZEVIULLKNHIAZ-INIZCTEOSA-N
MW369.49 g/mol
LogP3.51
Rot. Bonds5

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

(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine (PubChem CID 118022974) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine
PubChem CID118022974
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine
SMILESCOC[C@H]1COCCN1Cc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C20H23N3O2S/c1-14-21-18(11-23-8-9-25-13-16(23)12-24-2)17-10-19(26-20(17)22-14)15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m0/s1
InChIKeyTZEVIULLKNHIAZ-INIZCTEOSA-N
XLogP3.51
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine?
The IUPAC name of (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine (CID 118022974) is (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine?
The canonical SMILES for (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine is COC[C@H]1COCCN1Cc1nc(C)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine?
The InChIKey is TZEVIULLKNHIAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-21-18(11-23-8-9-25-13-16(23)12-24-2)17-10-19(26-20(17)22-14)15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine?
(3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine has a molecular weight of 369.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)methyl]morpholine is sourced from PubChem (CID 118022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).