4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine

C15H19FN4 — CID 112908956

IUPAC4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-10(2)17-14-9-11(3)18-15(20-14)19-13-8-6-5-7-12(13)16/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeySJJVKCWHZPJBPG-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.88
Rot. Bonds5

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

4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112908956) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112908956
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-10(2)17-14-9-11(3)18-15(20-14)19-13-8-6-5-7-12(13)16/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeySJJVKCWHZPJBPG-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909035
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
N-(2-fluorophenyl)-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 16804589
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
4-N-tert-butyl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924663
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993
2-N-(4-bromophenyl)-4-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112908969
4-N-[2-(dimethylamino)ethyl]-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112912860
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112908956) is 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is CCC(C)Nc1cc(C)nc(Nc2ccccc2F)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is SJJVKCWHZPJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-10(2)17-14-9-11(3)18-15(20-14)19-13-8-6-5-7-12(13)16/h5-10H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112908956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).