[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone

C22H25N5O2 — CID 170208513

About [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 170208513) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
• PubChem CID: 170208513
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone
• SMILES: Cc1cncc(C2CCN(C(=O)c3c(C)oc4ncnc(NC5(C)CC5)c34)C2)c1
• InChI: InChI=1S/C22H25N5O2/c1-13-8-16(10-23-9-13)15-4-7-27(11-15)21(28)17-14(2)29-20-18(17)19(24-12-25-20)26-22(3)5-6-22/h8-10,12,15H,4-7,11H2,1-3H3,(H,24,25,26)
• InChIKey: LSCCBHUOHPAYBA-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone?

The IUPAC name of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone (CID 170208513) is [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone is Cc1cncc(C2CCN(C(=O)c3c(C)oc4ncnc(NC5(C)CC5)c34)C2)c1.

What is the InChIKey of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone?

The InChIKey is LSCCBHUOHPAYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-8-16(10-23-9-13)15-4-7-27(11-15)21(28)17-14(2)29-20-18(17)19(24-12-25-20)26-22(3)5-6-22/h8-10,12,15H,4-7,11H2,1-3H3,(H,24,25,26).

What are the key properties of [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone?

[6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 391.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-methyl-4-[(1-methylcyclopropyl)amino]furo[2,3-d]pyrimidin-5-yl]-[3-(5-methyl-3-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 170208513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).