N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine

C29H34F2N6O — CID 158350905

About N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine

N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine (PubChem CID 158350905) has the molecular formula C29H34F2N6O and a molecular weight of 520.63 g/mol. Its IUPAC name is N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
• PubChem CID: 158350905
• Molecular Formula: C29H34F2N6O
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.28
• IUPAC Name: N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine
• SMILES: CCN(CC)C1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)C1
• InChI: InChI=1S/C29H34F2N6O/c1-4-36(5-2)20-8-9-37(16-20)27-14-26(33-25-12-19(15-32-25)18-6-7-18)34-29(35-27)38-24-13-23(30)21-10-17(3)11-22(21)28(24)31/h11-14,18,20H,4-10,15-16H2,1-3H3,(H,32,33,34,35)
• InChIKey: DZTUKRYBDIMHCY-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 65.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?

The IUPAC name of N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine (CID 158350905) is N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine.

What is the SMILES notation for N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?

The canonical SMILES for N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine is CCN(CC)C1CCN(c2cc(NC3=NCC(C4CC4)=C3)nc(Oc3cc(F)c4c(c3F)C=C(C)C4)n2)C1.

What is the InChIKey of N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?

The InChIKey is DZTUKRYBDIMHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O/c1-4-36(5-2)20-8-9-37(16-20)27-14-26(33-25-12-19(15-32-25)18-6-7-18)34-29(35-27)38-24-13-23(30)21-10-17(3)11-22(21)28(24)31/h11-14,18,20H,4-10,15-16H2,1-3H3,(H,32,33,34,35).

What are the key properties of N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine?

N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine has a molecular weight of 520.63 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopropyl-2H-pyrrol-5-yl)-6-[3-(diethylamino)pyrrolidin-1-yl]-2-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine is sourced from PubChem (CID 158350905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).