7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

C16H20FN5O2 — CID 10384489

About 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione

7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 10384489) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 10384489
• Molecular Formula: C16H20FN5O2
• Molecular Weight: 333.37 g/mol
• Exact Mass: 333.16
• IUPAC Name: 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: C[C@@H](N)[C@H]1CCN(c2nc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1
• InChI: InChI=1S/C16H20FN5O2/c1-8(18)9-4-5-21(7-9)14-12(17)6-11-13(19-14)22(10-2-3-10)16(24)20-15(11)23/h6,8-10H,2-5,7,18H2,1H3,(H,20,23,24)/t8-,9+/m1/s1
• InChIKey: JURXJNYDEYJNCG-BDAKNGLRSA-N
• XLogP: 0.73
• TPSA: 97.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.37
LogP ≤ 5	0.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione (CID 10384489) is 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is C[C@@H](N)[C@H]1CCN(c2nc3c(cc2F)c(=O)[nH]c(=O)n3C2CC2)C1.

What is the InChIKey of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is JURXJNYDEYJNCG-BDAKNGLRSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-8(18)9-4-5-21(7-9)14-12(17)6-11-13(19-14)22(10-2-3-10)16(24)20-15(11)23/h6,8-10H,2-5,7,18H2,1H3,(H,20,23,24)/t8-,9+/m1/s1.

What are the key properties of 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione?

7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 333.37 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10384489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).