tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate

C24H29FN6O3S — CID 150917105

About tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 150917105) has the molecular formula C24H29FN6O3S and a molecular weight of 500.60 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate
• PubChem CID: 150917105
• Molecular Formula: C24H29FN6O3S
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.20
• IUPAC Name: tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate
• SMILES: Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(N(C)C(=O)OC(C)(C)C)C3)c2s1
• InChI: InChI=1S/C24H29FN6O3S/c1-13-7-18-20(35-13)19(29-22(28-18)27-14(2)15-8-16(25)10-26-9-15)21(32)31-11-17(12-31)30(6)23(33)34-24(3,4)5/h7-10,14,17H,11-12H2,1-6H3,(H,27,28,29)/t14-/m0/s1
• InChIKey: LDFUGTWGVVYUFM-AWEZNQCLSA-N
• XLogP: 4.40
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate (CID 150917105) is tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate is Cc1cc2nc(N[C@@H](C)c3cncc(F)c3)nc(C(=O)N3CC(N(C)C(=O)OC(C)(C)C)C3)c2s1.

What is the InChIKey of tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate?

The InChIKey is LDFUGTWGVVYUFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H29FN6O3S/c1-13-7-18-20(35-13)19(29-22(28-18)27-14(2)15-8-16(25)10-26-9-15)21(32)31-11-17(12-31)30(6)23(33)34-24(3,4)5/h7-10,14,17H,11-12H2,1-6H3,(H,27,28,29)/t14-/m0/s1.

What are the key properties of tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate?

tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 500.60 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-6-methylthieno[3,2-d]pyrimidine-4-carbonyl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 150917105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).