4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine

C18H20N4O2S — CID 4809338

IUPAC4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Oc3cccnc3)c2c1C
InChIInChI=1S/C18H20N4O2S/c1-12-13(2)25-18-16(12)17(24-14-4-3-5-19-10-14)20-15(21-18)11-22-6-8-23-9-7-22/h3-5,10H,6-9,11H2,1-2H3
InChIKeyIALVMQNQUARWKW-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.33
Rot. Bonds4

About 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine

4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (PubChem CID 4809338) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
PubChem CID4809338
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
SMILESCc1sc2nc(CN3CCOCC3)nc(Oc3cccnc3)c2c1C
InChIInChI=1S/C18H20N4O2S/c1-12-13(2)25-18-16(12)17(24-14-4-3-5-19-10-14)20-15(21-18)11-22-6-8-23-9-7-22/h3-5,10H,6-9,11H2,1-2H3
InChIKeyIALVMQNQUARWKW-UHFFFAOYSA-N
XLogP3.33
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
CID 9112710
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 133391513
5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)-4-[3-(triazol-1-yl)phenoxy]thieno[2,3-d]pyrimidine
CID 133459519
4-[(4-phenoxy-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methyl]morpholine
CID 2686395
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
4-[[5,6-dimethyl-4-(3-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]methyl]morpholin-4-ium
CID 9213192
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
CID 37104729
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
4-[[12-(3,5-dimethylphenoxy)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-10-yl]methyl]morpholine
CID 9282368
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine (CID 4809338) is 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is Cc1sc2nc(CN3CCOCC3)nc(Oc3cccnc3)c2c1C.
What is the InChIKey of 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
The InChIKey is IALVMQNQUARWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-13(2)25-18-16(12)17(24-14-4-3-5-19-10-14)20-15(21-18)11-22-6-8-23-9-7-22/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine?
4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine has a molecular weight of 356.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine is sourced from PubChem (CID 4809338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).