2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

C22H25FN6O2 — CID 10137165

About 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione

2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 10137165) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

• Compound Name: 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
• PubChem CID: 10137165
• Molecular Formula: C22H25FN6O2
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.20
• IUPAC Name: 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione
• SMILES: Cc1c(N2CCC(c3cccc(CN)n3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12
• InChI: InChI=1S/C22H25FN6O2/c1-12-19(27-8-7-14(10-27)17-4-2-3-15(9-24)26-17)16(23)11-28-20(12)18(13-5-6-13)21(30)29(25)22(28)31/h2-4,11,13-14H,5-10,24-25H2,1H3
• InChIKey: VSZIVXHGQXOFFW-UHFFFAOYSA-N
• XLogP: 1.35
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?

The IUPAC name of 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione (CID 10137165) is 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione.

What is the SMILES notation for 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?

The canonical SMILES for 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is Cc1c(N2CCC(c3cccc(CN)n3)C2)c(F)cn2c(=O)n(N)c(=O)c(C3CC3)c12.

What is the InChIKey of 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?

The InChIKey is VSZIVXHGQXOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-12-19(27-8-7-14(10-27)17-4-2-3-15(9-24)26-17)16(23)11-28-20(12)18(13-5-6-13)21(30)29(25)22(28)31/h2-4,11,13-14H,5-10,24-25H2,1H3.

What are the key properties of 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione?

2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 424.48 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-6-[3-[6-(aminomethyl)-2-pyridinyl]pyrrolidin-1-yl]-4-cyclopropyl-7-fluoro-5-methylpyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 10137165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).