5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C17H26N4OS — CID 78805469

IUPAC5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CN(CC(C)C)CCO3)c2c1C
InChIInChI=1S/C17H26N4OS/c1-11(2)8-21-5-6-22-14(9-21)7-18-16-15-12(3)13(4)23-17(15)20-10-19-16/h10-11,14H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyIPWCFCZOFWFLKH-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.08
Rot. Bonds5

About 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 78805469) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID78805469
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CN(CC(C)C)CCO3)c2c1C
InChIInChI=1S/C17H26N4OS/c1-11(2)8-21-5-6-22-14(9-21)7-18-16-15-12(3)13(4)23-17(15)20-10-19-16/h10-11,14H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyIPWCFCZOFWFLKH-UHFFFAOYSA-N
XLogP3.08
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 78805469) is 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC3CN(CC(C)C)CCO3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IPWCFCZOFWFLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-11(2)8-21-5-6-22-14(9-21)7-18-16-15-12(3)13(4)23-17(15)20-10-19-16/h10-11,14H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 334.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 78805469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).