2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

C20H21FN4 — CID 112917530

IUPAC2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(F)cc2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H21FN4/c1-13-4-9-18(10-14(13)2)24-20-23-15(3)11-19(25-20)22-12-16-5-7-17(21)8-6-16/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNYFAWHCCJFYNJC-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.90
Rot. Bonds5

About 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine

2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112917530) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112917530
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccc(F)cc2)nc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C20H21FN4/c1-13-4-9-18(10-14(13)2)24-20-23-15(3)11-19(25-20)22-12-16-5-7-17(21)8-6-16/h4-11H,12H2,1-3H3,(H2,22,23,24,25)
InChIKeyNYFAWHCCJFYNJC-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-(3,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918469
2-N-[(4-fluorophenyl)methyl]-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916340
N-[3-[[4-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112917572
4-N-(3,4-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917730
2-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918506
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
2-N-(3-chloro-4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918492
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922553
4-N-(3,5-dichlorophenyl)-2-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917733
2-N-cyclopropyl-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112907551
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine (CID 112917530) is 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NCc2ccc(F)cc2)nc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is NYFAWHCCJFYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13-4-9-18(10-14(13)2)24-20-23-15(3)11-19(25-20)22-12-16-5-7-17(21)8-6-16/h4-11H,12H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-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 2-N-(3,4-dimethylphenyl)-4-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112917530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).