4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C18H16N6O2S — CID 45275623

IUPAC4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1
InChIInChI=1S/C18H16N6O2S/c1-10-7-13(24-26-10)16-22-15(19)12-8-14(27-18(12)23-16)17(25)21-6-4-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyXRNOTHAUQSUWPR-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.60
Rot. Bonds5

About 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide

4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45275623) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45275623
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Name4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1
InChIInChI=1S/C18H16N6O2S/c1-10-7-13(24-26-10)16-22-15(19)12-8-14(27-18(12)23-16)17(25)21-6-4-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyXRNOTHAUQSUWPR-UHFFFAOYSA-N
XLogP2.60
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45275623) is 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1.
What is the InChIKey of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is XRNOTHAUQSUWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-10-7-13(24-26-10)16-22-15(19)12-8-14(27-18(12)23-16)17(25)21-6-4-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H2,19,22,23).
What are the key properties of 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45275623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).