4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

C20H21FN4 — CID 112891151

IUPAC4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nccc(NCc3ccccc3F)n2)c(C)c1
InChIInChI=1S/C20H21FN4/c1-13-10-14(2)19(15(3)11-13)25-20-22-9-8-18(24-20)23-12-16-6-4-5-7-17(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyJGIGVDAUDLWMDK-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.90
Rot. Bonds5

About 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112891151) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
PubChem CID112891151
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nccc(NCc3ccccc3F)n2)c(C)c1
InChIInChI=1S/C20H21FN4/c1-13-10-14(2)19(15(3)11-13)25-20-22-9-8-18(24-20)23-12-16-6-4-5-7-17(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyJGIGVDAUDLWMDK-UHFFFAOYSA-N
XLogP4.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112917401
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112891171
2-N-(4-bromophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891168
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
4-N-[(2-fluorophenyl)methyl]-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891181
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
4-N-[(2-fluorophenyl)methyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112891121
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
4-N-[(2-fluorophenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112891199
5-N-[2-(2-fluorophenyl)ethyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112953428

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (CID 112891151) is 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(C)c(Nc2nccc(NCc3ccccc3F)n2)c(C)c1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JGIGVDAUDLWMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13-10-14(2)19(15(3)11-13)25-20-22-9-8-18(24-20)23-12-16-6-4-5-7-17(16)21/h4-11H,12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 336.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112891151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).