N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine

C16H12F4N6 — CID 58757240

IUPACN-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine
SMILESFc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1
InChIInChI=1S/C16H12F4N6/c17-11-5-12(18)24-15(23-11)21-7-9-1-2-10(4-3-9)8-22-16-25-13(19)6-14(20)26-16/h1-6H,7-8H2,(H,21,23,24)(H,22,25,26)
InChIKeyIXLPHBYXVAJQKE-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.05
Rot. Bonds6

About N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine

N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine (PubChem CID 58757240) has the molecular formula C16H12F4N6 and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine
PubChem CID58757240
Molecular FormulaC16H12F4N6
Molecular Weight364.31 g/mol
Exact Mass364.11
IUPAC NameN-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine
SMILESFc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1
InChIInChI=1S/C16H12F4N6/c17-11-5-12(18)24-15(23-11)21-7-9-1-2-10(4-3-9)8-22-16-25-13(19)6-14(20)26-16/h1-6H,7-8H2,(H,21,23,24)(H,22,25,26)
InChIKeyIXLPHBYXVAJQKE-UHFFFAOYSA-N
XLogP3.05
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine with MolForge

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Related Compounds

2-N,4-N-bis[(4-fluorophenyl)methyl]-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90158889
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871
N'-(4,6-dimethylpyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 102536508
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
6-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80778027
4-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 82461111

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine?
The IUPAC name of N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine (CID 58757240) is N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine.
What is the SMILES notation for N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine?
The canonical SMILES for N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine is Fc1cc(F)nc(NCc2ccc(CNc3nc(F)cc(F)n3)cc2)n1.
What is the InChIKey of N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine?
The InChIKey is IXLPHBYXVAJQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N6/c17-11-5-12(18)24-15(23-11)21-7-9-1-2-10(4-3-9)8-22-16-25-13(19)6-14(20)26-16/h1-6H,7-8H2,(H,21,23,24)(H,22,25,26).
What are the key properties of N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine?
N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine has a molecular weight of 364.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4,6-difluoropyrimidin-2-amine is sourced from PubChem (CID 58757240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).