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

C15H19FN4 — CID 112909147

IUPAC2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(Nc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-10(2)17-15-18-11(3)9-14(20-15)19-13-8-6-5-7-12(13)16/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyQSXILXLDFVUAAF-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.88
Rot. Bonds5

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

2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112909147) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112909147
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nc(C)cc(Nc2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-4-10(2)17-15-18-11(3)9-14(20-15)19-13-8-6-5-7-12(13)16/h5-10H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyQSXILXLDFVUAAF-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

4-N-butan-2-yl-2-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112908956
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
2-[[2-(butan-2-ylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112909221
2-N-tert-butyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112924784
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909035
4-N-(2-fluorophenyl)-6-methyl-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112927092
2-N-benzyl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915708
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908573
N-(2-fluorophenyl)-2,6-dimethylpyrimidin-4-amine
CID 16876812
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112909147) is 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is CCC(C)Nc1nc(C)cc(Nc2ccccc2F)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QSXILXLDFVUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-10(2)17-15-18-11(3)9-14(20-15)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 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-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 2-N-butan-2-yl-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).