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

C18H21N5O2S — CID 58413275

IUPACN-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
InChIInChI=1S/C18H21N5O2S/c1-5-19-16(24)14-11(4)13-15(21-9-22-18(13)26-14)23-12-7-6-8-20-17(12)25-10(2)3/h6-10H,5H2,1-4H3,(H,19,24)(H,21,22,23)
InChIKeyOYFKXBMYUKZJTA-UHFFFAOYSA-N
MW371.47 g/mol
LogP3.68
Rot. Bonds6

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

N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413275) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413275
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
InChIInChI=1S/C18H21N5O2S/c1-5-19-16(24)14-11(4)13-15(21-9-22-18(13)26-14)23-12-7-6-8-20-17(12)25-10(2)3/h6-10H,5H2,1-4H3,(H,19,24)(H,21,22,23)
InChIKeyOYFKXBMYUKZJTA-UHFFFAOYSA-N
XLogP3.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413275) is N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C.
What is the InChIKey of N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is OYFKXBMYUKZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-5-19-16(24)14-11(4)13-15(21-9-22-18(13)26-14)23-12-7-6-8-20-17(12)25-10(2)3/h6-10H,5H2,1-4H3,(H,19,24)(H,21,22,23).
What are the key properties of N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).