6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C₂₃H₂₆FN₅O — CID 156837913

About 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156837913) has the molecular formula C₂₃H₂₆FN₅O and a molecular weight of 407.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 156837913
• Molecular Formula: C₂₃H₂₆FN₅O
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.21
• IUPAC Name: 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: Fc1ccc2c(c1)CC[C@H](N1CCOCC1)C2Nc1ncnc2[nH]c(C3CC3)cc12
• InChI: InChI=1S/C23H26FN5O/c24-16-4-5-17-15(11-16)3-6-20(29-7-9-30-10-8-29)21(17)28-23-18-12-19(14-1-2-14)27-22(18)25-13-26-23/h4-5,11-14,20-21H,1-3,6-10H2,(H2,25,26,27,28)/t20-,21?/m0/s1
• InChIKey: MWEJCYMEVGQSBI-BGERDNNASA-N
• XLogP: 3.77
• TPSA: 66.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156837913) is 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc2c(c1)CC[C@H](N1CCOCC1)C2Nc1ncnc2[nH]c(C3CC3)cc12.

What is the InChIKey of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is MWEJCYMEVGQSBI-BGERDNNASA-N. The full InChI is InChI=1S/C23H26FN5O/c24-16-4-5-17-15(11-16)3-6-20(29-7-9-30-10-8-29)21(17)28-23-18-12-19(14-1-2-14)27-22(18)25-13-26-23/h4-5,11-14,20-21H,1-3,6-10H2,(H2,25,26,27,28)/t20-,21?/m0/s1.

What are the key properties of 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 407.49 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156837913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156837913 — identifiers, structure, computed properties (public domain)

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