2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C18H17FN4 — CID 112915708

IUPAC2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17FN4/c1-13-11-17(22-16-10-6-5-9-15(16)19)23-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
InChIKeyWRWFFSPTPAQNEY-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.28
Rot. Bonds5

About 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112915708) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112915708
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H17FN4/c1-13-11-17(22-16-10-6-5-9-15(16)19)23-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23)
InChIKeyWRWFFSPTPAQNEY-UHFFFAOYSA-N
XLogP4.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-benzyl-4-N-(3-chloro-2-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915711
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-(2,4-difluorophenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916596
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112922746
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112915708) is 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2F)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is WRWFFSPTPAQNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-13-11-17(22-16-10-6-5-9-15(16)19)23-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 308.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112915708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).