N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine

C20H15F2N5 — CID 90883647

IUPACN-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1cccc(N(Cc2ccnc3c(F)c(F)ccc23)c2ncccn2)n1
InChIInChI=1S/C20H15F2N5/c1-13-4-2-5-17(26-13)27(20-24-9-3-10-25-20)12-14-8-11-23-19-15(14)6-7-16(21)18(19)22/h2-11H,12H2,1H3
InChIKeyWPIPUNBXTQECHG-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.34
Rot. Bonds4

About N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine

N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 90883647) has the molecular formula C20H15F2N5 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID90883647
Molecular FormulaC20H15F2N5
Molecular Weight363.37 g/mol
Exact Mass363.13
IUPAC NameN-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1cccc(N(Cc2ccnc3c(F)c(F)ccc23)c2ncccn2)n1
InChIInChI=1S/C20H15F2N5/c1-13-4-2-5-17(26-13)27(20-24-9-3-10-25-20)12-14-8-11-23-19-15(14)6-7-16(21)18(19)22/h2-11H,12H2,1H3
InChIKeyWPIPUNBXTQECHG-UHFFFAOYSA-N
XLogP4.34
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine (CID 90883647) is N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine is Cc1cccc(N(Cc2ccnc3c(F)c(F)ccc23)c2ncccn2)n1.
What is the InChIKey of N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is WPIPUNBXTQECHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5/c1-13-4-2-5-17(26-13)27(20-24-9-3-10-25-20)12-14-8-11-23-19-15(14)6-7-16(21)18(19)22/h2-11H,12H2,1H3.
What are the key properties of N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine?
N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 363.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-difluoroquinolin-4-yl)methyl]-N-(6-methyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 90883647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).