N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine

C25H25F2N7 — CID 163381263

IUPACN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CC1
InChIInChI=1S/C25H25F2N7/c1-33(2)18-7-10-34(11-8-18)19-5-6-22(29-14-19)31-25-30-15-21(27)24(32-25)17-12-16-4-3-9-28-23(16)20(26)13-17/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,29,30,31,32)
InChIKeyJUUHNDAADWNDNH-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.64
Rot. Bonds5

About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine (PubChem CID 163381263) has the molecular formula C25H25F2N7 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
PubChem CID163381263
Molecular FormulaC25H25F2N7
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine
SMILESCN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CC1
InChIInChI=1S/C25H25F2N7/c1-33(2)18-7-10-34(11-8-18)19-5-6-22(29-14-19)31-25-30-15-21(27)24(32-25)17-12-16-4-3-9-28-23(16)20(26)13-17/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,29,30,31,32)
InChIKeyJUUHNDAADWNDNH-UHFFFAOYSA-N
XLogP4.64
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine (CID 163381263) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine is CN(C)C1CCN(c2ccc(Nc3ncc(F)c(-c4cc(F)c5ncccc5c4)n3)nc2)CC1.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine?
The InChIKey is JUUHNDAADWNDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7/c1-33(2)18-7-10-34(11-8-18)19-5-6-22(29-14-19)31-25-30-15-21(27)24(32-25)17-12-16-4-3-9-28-23(16)20(26)13-17/h3-6,9,12-15,18H,7-8,10-11H2,1-2H3,(H,29,30,31,32).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine has a molecular weight of 461.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-5-fluoro-4-(8-fluoroquinolin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 163381263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).