5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C20H20N6O3S — CID 58413320

IUPAC5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cnco2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C20H20N6O3S/c1-11(2)29-19-14(5-4-6-22-19)26-17-15-12(3)16(30-20(15)25-9-24-17)18(27)23-8-13-7-21-10-28-13/h4-7,9-11H,8H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyHMTFBKBFDNGKCV-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.84
Rot. Bonds7

About 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413320) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413320
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC Name5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCc2cnco2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C20H20N6O3S/c1-11(2)29-19-14(5-4-6-22-19)26-17-15-12(3)16(30-20(15)25-9-24-17)18(27)23-8-13-7-21-10-28-13/h4-7,9-11H,8H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyHMTFBKBFDNGKCV-UHFFFAOYSA-N
XLogP3.84
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413320) is 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCc2cnco2)sc2ncnc(Nc3cccnc3OC(C)C)c12.
What is the InChIKey of 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is HMTFBKBFDNGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-11(2)29-19-14(5-4-6-22-19)26-17-15-12(3)16(30-20(15)25-9-24-17)18(27)23-8-13-7-21-10-28-13/h4-7,9-11H,8H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-oxazol-5-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).