2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H20F2N6 — CID 177024407

IUPAC2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)c1ccccc1-c1nc2c(c(NCc3ccc(-c4ccccn4)nc3)n1)CCN2
InChIInChI=1S/C24H20F2N6/c25-21(26)16-5-1-2-6-17(16)24-31-22-18(10-12-28-22)23(32-24)30-14-15-8-9-20(29-13-15)19-7-3-4-11-27-19/h1-9,11,13,21H,10,12,14H2,(H2,28,30,31,32)
InChIKeyHLBXBDITIMDUFB-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.12
Rot. Bonds6

About 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine

2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 177024407) has the molecular formula C24H20F2N6 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID177024407
Molecular FormulaC24H20F2N6
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Name2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)c1ccccc1-c1nc2c(c(NCc3ccc(-c4ccccn4)nc3)n1)CCN2
InChIInChI=1S/C24H20F2N6/c25-21(26)16-5-1-2-6-17(16)24-31-22-18(10-12-28-22)23(32-24)30-14-15-8-9-20(29-13-15)19-7-3-4-11-27-19/h1-9,11,13,21H,10,12,14H2,(H2,28,30,31,32)
InChIKeyHLBXBDITIMDUFB-UHFFFAOYSA-N
XLogP5.12
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 177024407) is 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)c1ccccc1-c1nc2c(c(NCc3ccc(-c4ccccn4)nc3)n1)CCN2.
What is the InChIKey of 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HLBXBDITIMDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6/c25-21(26)16-5-1-2-6-17(16)24-31-22-18(10-12-28-22)23(32-24)30-14-15-8-9-20(29-13-15)19-7-3-4-11-27-19/h1-9,11,13,21H,10,12,14H2,(H2,28,30,31,32).
What are the key properties of 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 430.46 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)phenyl]-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 177024407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).