6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

C17H16FN5 — CID 19144474

IUPAC6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2)c1N
InChIInChI=1S/C17H16FN5/c1-23(14-5-3-2-4-6-14)17-15(19)16(20-11-21-17)22-13-9-7-12(18)8-10-13/h2-11H,19H2,1H3,(H,20,21,22)
InChIKeyFCYYYCLPNXHXOF-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.71
Rot. Bonds4

About 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine

6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (PubChem CID 19144474) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
PubChem CID19144474
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
SMILESCN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2)c1N
InChIInChI=1S/C17H16FN5/c1-23(14-5-3-2-4-6-14)17-15(19)16(20-11-21-17)22-13-9-7-12(18)8-10-13/h2-11H,19H2,1H3,(H,20,21,22)
InChIKeyFCYYYCLPNXHXOF-UHFFFAOYSA-N
XLogP3.71
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
4-N,6-N-bis(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148988
6-N-(4-bromo-2-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144523
6-N-(2,4-dichlorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144482
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
6-N-butyl-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19134824
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
4-N,4-N-diethyl-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19136861
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine (CID 19144474) is 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is CN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2)c1N.
What is the InChIKey of 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
The InChIKey is FCYYYCLPNXHXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-23(14-5-3-2-4-6-14)17-15(19)16(20-11-21-17)22-13-9-7-12(18)8-10-13/h2-11H,19H2,1H3,(H,20,21,22).
What are the key properties of 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine?
6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine has a molecular weight of 309.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).