2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

C16H23N3O2S — CID 94173419

IUPAC2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N(C)[C@H](C)COC)sc2n1
InChIInChI=1S/C16H23N3O2S/c1-7-12-17-11(4)13-10(3)14(22-15(13)18-12)16(20)19(5)9(2)8-21-6/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyBFHJOHDFBNLJCK-SECBINFHSA-N
MW321.45 g/mol
LogP2.98
Rot. Bonds5

About 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide

2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 94173419) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID94173419
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCc1nc(C)c2c(C)c(C(=O)N(C)[C@H](C)COC)sc2n1
InChIInChI=1S/C16H23N3O2S/c1-7-12-17-11(4)13-10(3)14(22-15(13)18-12)16(20)19(5)9(2)8-21-6/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyBFHJOHDFBNLJCK-SECBINFHSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 94173419) is 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)N(C)[C@H](C)COC)sc2n1.
What is the InChIKey of 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BFHJOHDFBNLJCK-SECBINFHSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-7-12-17-11(4)13-10(3)14(22-15(13)18-12)16(20)19(5)9(2)8-21-6/h9H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide?
2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2R)-1-methoxypropan-2-yl]-N,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 94173419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).