5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H19N5O2S — CID 23827864

IUPAC5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)sc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C18H19N5O2S/c1-12-14-16(23-6-8-25-9-7-23)21-11-22-18(14)26-15(12)17(24)20-10-13-4-2-3-5-19-13/h2-5,11H,6-10H2,1H3,(H,20,24)
InChIKeyPKJQATFULAAKPB-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.16
Rot. Bonds4

About 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 23827864) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID23827864
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2ccccn2)sc2ncnc(N3CCOCC3)c12
InChIInChI=1S/C18H19N5O2S/c1-12-14-16(23-6-8-25-9-7-23)21-11-22-18(14)26-15(12)17(24)20-10-13-4-2-3-5-19-13/h2-5,11H,6-10H2,1H3,(H,20,24)
InChIKeyPKJQATFULAAKPB-UHFFFAOYSA-N
XLogP2.16
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 23827864) is 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2ccccn2)sc2ncnc(N3CCOCC3)c12.
What is the InChIKey of 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PKJQATFULAAKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12-14-16(23-6-8-25-9-7-23)21-11-22-18(14)26-15(12)17(24)20-10-13-4-2-3-5-19-13/h2-5,11H,6-10H2,1H3,(H,20,24).
What are the key properties of 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-morpholin-4-yl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 23827864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).