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

C21H26N6O3S — CID 58413259

IUPAC5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2COCCN2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C21H26N6O3S/c1-12(2)30-20-15(5-4-6-23-20)27-18-16-13(3)17(31-21(16)26-11-25-18)19(28)24-9-14-10-29-8-7-22-14/h4-6,11-12,14,22H,7-10H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyDSPGKEWVKNMRGA-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.64
Rot. Bonds7

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

5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413259) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413259
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC Name5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCC2COCCN2)sc2ncnc(Nc3cccnc3OC(C)C)c12
InChIInChI=1S/C21H26N6O3S/c1-12(2)30-20-15(5-4-6-23-20)27-18-16-13(3)17(31-21(16)26-11-25-18)19(28)24-9-14-10-29-8-7-22-14/h4-6,11-12,14,22H,7-10H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyDSPGKEWVKNMRGA-UHFFFAOYSA-N
XLogP2.64
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413259) is 5-methyl-N-(morpholin-3-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-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCC2COCCN2)sc2ncnc(Nc3cccnc3OC(C)C)c12.
What is the InChIKey of 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DSPGKEWVKNMRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-12(2)30-20-15(5-4-6-23-20)27-18-16-13(3)17(31-21(16)26-11-25-18)19(28)24-9-14-10-29-8-7-22-14/h4-6,11-12,14,22H,7-10H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 442.55 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(morpholin-3-ylmethyl)-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).