6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one

C26H29FN8OS — CID 164709735

About 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one

6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 164709735) has the molecular formula C26H29FN8OS and a molecular weight of 520.64 g/mol. Its IUPAC name is 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 164709735
• Molecular Formula: C26H29FN8OS
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.22
• IUPAC Name: 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one
• SMILES: CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(c4C)c(=O)ncn5C(C)C)n3)nc1)C2
• InChI: InChI=1S/C26H29FN8OS/c1-5-33-10-26(11-33)12-34(13-26)17-6-7-19(28-8-17)31-25-29-9-18(27)21(32-25)22-16(4)20-23(36)30-14-35(15(2)3)24(20)37-22/h6-9,14-15H,5,10-13H2,1-4H3,(H,28,29,31,32)
• InChIKey: QSWPTOAMBYJGKP-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 92.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one (CID 164709735) is 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one is CCN1CC2(C1)CN(c1ccc(Nc3ncc(F)c(-c4sc5c(c4C)c(=O)ncn5C(C)C)n3)nc1)C2.

What is the InChIKey of 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is QSWPTOAMBYJGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8OS/c1-5-33-10-26(11-33)12-34(13-26)17-6-7-19(28-8-17)31-25-29-9-18(27)21(32-25)22-16(4)20-23(36)30-14-35(15(2)3)24(20)37-22/h6-9,14-15H,5,10-13H2,1-4H3,(H,28,29,31,32).

What are the key properties of 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one?

6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 520.64 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-5-methyl-1-propan-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 164709735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).