1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C19H24N6O — CID 56747712

About 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56747712) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• PubChem CID: 56747712
• Molecular Formula: C19H24N6O
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.20
• IUPAC Name: 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
• SMILES: CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC[C@@H]2CCCN2)C1
• InChI: InChI=1S/C19H24N6O/c1-13(26)25-10-6-16-17(12-25)23-18(14-4-8-20-9-5-14)24-19(16)22-11-15-3-2-7-21-15/h4-5,8-9,15,21H,2-3,6-7,10-12H2,1H3,(H,22,23,24)/t15-/m0/s1
• InChIKey: YREIRESDQNKCGT-HNNXBMFYSA-N
• XLogP: 1.61
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The IUPAC name of 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56747712) is 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

What is the SMILES notation for 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The canonical SMILES for 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(-c3ccncc3)nc2NC[C@@H]2CCCN2)C1.

What is the InChIKey of 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

The InChIKey is YREIRESDQNKCGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13(26)25-10-6-16-17(12-25)23-18(14-4-8-20-9-5-14)24-19(16)22-11-15-3-2-7-21-15/h4-5,8-9,15,21H,2-3,6-7,10-12H2,1H3,(H,22,23,24)/t15-/m0/s1.

What are the key properties of 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?

1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-pyridin-4-yl-4-[[(2S)-pyrrolidin-2-yl]methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56747712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).