2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide

C19H29N5O2S — CID 18083452

IUPAC2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C19H29N5O2S/c1-5-6-20-16(25)12-23(4)18-17-13(2)14(3)27-19(17)22-15(21-18)11-24-7-9-26-10-8-24/h5-12H2,1-4H3,(H,20,25)
InChIKeyQYCOHSOIZAGCAY-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.10
Rot. Bonds7

About 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide

2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide (PubChem CID 18083452) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
PubChem CID18083452
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C19H29N5O2S/c1-5-6-20-16(25)12-23(4)18-17-13(2)14(3)27-19(17)22-15(21-18)11-24-7-9-26-10-8-24/h5-12H2,1-4H3,(H,20,25)
InChIKeyQYCOHSOIZAGCAY-UHFFFAOYSA-N
XLogP2.10
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide (CID 18083452) is 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(CN2CCOCC2)nc2sc(C)c(C)c12.
What is the InChIKey of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
The InChIKey is QYCOHSOIZAGCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-5-6-20-16(25)12-23(4)18-17-13(2)14(3)27-19(17)22-15(21-18)11-24-7-9-26-10-8-24/h5-12H2,1-4H3,(H,20,25).
What are the key properties of 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide?
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide has a molecular weight of 391.54 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 18083452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).