(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine

C13H17N3OS — CID 6923426

IUPAC(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1csc2c(N3C[C@@H](C)O[C@@H](C)C3)ncnc12
InChIInChI=1S/C13H17N3OS/c1-8-6-18-12-11(8)14-7-15-13(12)16-4-9(2)17-10(3)5-16/h6-7,9-10H,4-5H2,1-3H3/t9-,10+
InChIKeyXYDHJGLXPQODOH-AOOOYVTPSA-N
MW263.37 g/mol
LogP2.61
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine

(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine (PubChem CID 6923426) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
PubChem CID6923426
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
SMILESCc1csc2c(N3C[C@@H](C)O[C@@H](C)C3)ncnc12
InChIInChI=1S/C13H17N3OS/c1-8-6-18-12-11(8)14-7-15-13(12)16-4-9(2)17-10(3)5-16/h6-7,9-10H,4-5H2,1-3H3/t9-,10+
InChIKeyXYDHJGLXPQODOH-AOOOYVTPSA-N
XLogP2.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
4-[(3R,4R)-4-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 124829142
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 2807675
(1S,5R)-9-methyl-7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135116965
[6,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholin-2-yl]methanamine
CID 102687400
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 100700021
(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133118855
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
(3R,4R)-4-(hydroxymethyl)-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-3-ol
CID 56898903

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine (CID 6923426) is (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine is Cc1csc2c(N3C[C@@H](C)O[C@@H](C)C3)ncnc12.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine?
The InChIKey is XYDHJGLXPQODOH-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-6-18-12-11(8)14-7-15-13(12)16-4-9(2)17-10(3)5-16/h6-7,9-10H,4-5H2,1-3H3/t9-,10+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine?
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine has a molecular weight of 263.37 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 6923426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).