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

C20H21FN4 — CID 112920864

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4/c1-14-5-3-4-6-18(14)24-19-13-15(2)23-20(25-19)22-12-11-16-7-9-17(21)10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyACPNPEQEVJTEDC-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.63
Rot. Bonds6

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

2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 112920864) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
PubChem CID112920864
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2C)nc(NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H21FN4/c1-14-5-3-4-6-18(14)24-19-13-15(2)23-20(25-19)22-12-11-16-7-9-17(21)10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25)
InChIKeyACPNPEQEVJTEDC-UHFFFAOYSA-N
XLogP4.63
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920871
4-N-(2,4-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920870
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915799
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
4-N-(5-chloro-2-methylphenyl)-6-methyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920229
4-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920884
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112920901
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908502
6-methyl-4-N-phenyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920202
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112920855

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine (CID 112920864) is 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2C)nc(NCCc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is ACPNPEQEVJTEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-14-5-3-4-6-18(14)24-19-13-15(2)23-20(25-19)22-12-11-16-7-9-17(21)10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,25).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine?
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 336.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112920864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).