2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate

C38H30Cl2F2N8O4 — CID 69434465

About 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate

2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 69434465) has the molecular formula C38H30Cl2F2N8O4 and a molecular weight of 771.61 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
• PubChem CID: 69434465
• Molecular Formula: C38H30Cl2F2N8O4
• Molecular Weight: 771.61 g/mol
• Exact Mass: 770.17
• IUPAC Name: 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2
• InChI: InChI=1S/C20H16ClFN4O3.C18H14ClFN4O/c1-2-29-20(27)13-8-23-6-5-16(13)24-19-14-9-28-10-17(14)25-18(26-19)12-7-11(21)3-4-15(12)22;1-10-7-21-5-4-15(10)22-18-13-8-25-9-16(13)23-17(24-18)12-6-11(19)2-3-14(12)20/h3-8H,2,9-10H2,1H3,(H,23,24,25,26);2-7H,8-9H2,1H3,(H,21,22,23,24)
• InChIKey: NKASURBPVKLNNQ-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 146.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.61
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate (CID 69434465) is 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate.

What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.Cc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2c1COC2.

What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

The InChIKey is NKASURBPVKLNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3.C18H14ClFN4O/c1-2-29-20(27)13-8-23-6-5-16(13)24-19-14-9-28-10-17(14)25-18(26-19)12-7-11(21)3-4-15(12)22;1-10-7-21-5-4-15(10)22-18-13-8-25-9-16(13)23-17(24-18)12-6-11(19)2-3-14(12)20/h3-8H,2,9-10H2,1H3,(H,23,24,25,26);2-7H,8-9H2,1H3,(H,21,22,23,24).

What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate?

2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 771.61 g/mol, XLogP of 8.69, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-2-fluorophenyl)-N-(3-methyl-4-pyridinyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine;ethyl 4-[[2-(5-chloro-2-fluorophenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 69434465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).