[2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C38H37ClF6N10O2S2 — CID 163901428

About [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 163901428) has the molecular formula C38H37ClF6N10O2S2 and a molecular weight of 879.36 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 163901428
• Molecular Formula: C38H37ClF6N10O2S2
• Molecular Weight: 879.36 g/mol
• Exact Mass: 878.21
• IUPAC Name: [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
• SMILES: C[C@H](N)c1cccnc1.C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(C(F)(F)F)cc2n1)c1cccnc1.O=C(c1nc(Cl)nc2cc(C(F)(F)F)sc12)N1CCCC1
• InChI: InChI=1S/C19H18F3N5OS.C12H9ClF3N3OS.C7H10N2/c1-11(12-5-4-6-23-10-12)24-18-25-13-9-14(19(20,21)22)29-16(13)15(26-18)17(28)27-7-2-3-8-27;13-11-17-6-5-7(12(14,15)16)21-9(6)8(18-11)10(20)19-3-1-2-4-19;1-6(8)7-3-2-4-9-5-7/h4-6,9-11H,2-3,7-8H2,1H3,(H,24,25,26);5H,1-4H2;2-6H,8H2,1H3/t11-;;6-/m0.0/s1
• InChIKey: QKEXKHMRXYKFSN-ARUFQWFRSA-N
• XLogP: 9.22
• TPSA: 156.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	879.36
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 163901428) is [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is C[C@H](N)c1cccnc1.C[C@H](Nc1nc(C(=O)N2CCCC2)c2sc(C(F)(F)F)cc2n1)c1cccnc1.O=C(c1nc(Cl)nc2cc(C(F)(F)F)sc12)N1CCCC1.

What is the InChIKey of [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is QKEXKHMRXYKFSN-ARUFQWFRSA-N. The full InChI is InChI=1S/C19H18F3N5OS.C12H9ClF3N3OS.C7H10N2/c1-11(12-5-4-6-23-10-12)24-18-25-13-9-14(19(20,21)22)29-16(13)15(26-18)17(28)27-7-2-3-8-27;13-11-17-6-5-7(12(14,15)16)21-9(6)8(18-11)10(20)19-3-1-2-4-19;1-6(8)7-3-2-4-9-5-7/h4-6,9-11H,2-3,7-8H2,1H3,(H,24,25,26);5H,1-4H2;2-6H,8H2,1H3/t11-;;6-/m0.0/s1.

What are the key properties of [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?

[2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 879.36 g/mol, XLogP of 9.22, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone;(1S)-1-pyridin-3-ylethanamine;[2-[[(1S)-1-pyridin-3-ylethyl]amino]-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 163901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).