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

C19H22N6O3S — CID 58413327

IUPAC5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
InChIInChI=1S/C19H22N6O3S/c1-10(2)28-18-12(6-5-7-21-18)25-16-14-11(3)15(29-19(14)24-9-23-16)17(27)22-8-13(26)20-4/h5-7,9-10H,8H2,1-4H3,(H,20,26)(H,22,27)(H,23,24,25)
InChIKeyNTSGQAWXZFAZOR-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.40
Rot. Bonds7

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

5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 58413327) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID58413327
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C
InChIInChI=1S/C19H22N6O3S/c1-10(2)28-18-12(6-5-7-21-18)25-16-14-11(3)15(29-19(14)24-9-23-16)17(27)22-8-13(26)20-4/h5-7,9-10H,8H2,1-4H3,(H,20,26)(H,22,27)(H,23,24,25)
InChIKeyNTSGQAWXZFAZOR-UHFFFAOYSA-N
XLogP2.40
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 58413327) is 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is CNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C.
What is the InChIKey of 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NTSGQAWXZFAZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-10(2)28-18-12(6-5-7-21-18)25-16-14-11(3)15(29-19(14)24-9-23-16)17(27)22-8-13(26)20-4/h5-7,9-10H,8H2,1-4H3,(H,20,26)(H,22,27)(H,23,24,25).
What are the key properties of 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylamino)-2-oxoethyl]-4-[(2-propan-2-yloxy-3-pyridinyl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 58413327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).