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

C15H18F2N4 — CID 112909035

IUPAC4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-9(2)18-13-8-10(3)19-15(20-13)21-14-11(16)6-5-7-12(14)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyKZTBQAAUHSNCBE-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.02
Rot. Bonds5

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

4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112909035) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112909035
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1cc(C)nc(Nc2c(F)cccc2F)n1
InChIInChI=1S/C15H18F2N4/c1-4-9(2)18-13-8-10(3)19-15(20-13)21-14-11(16)6-5-7-12(14)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21)
InChIKeyKZTBQAAUHSNCBE-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.02
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-4-N-(2-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909147
2-N-(4-bromophenyl)-4-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112908969
2-N-(2,6-difluorophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928610
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927396
4-N-(3,5-dichlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112932223
2-N-butan-2-yl-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112909173
N-(2,6-difluorophenyl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80921095
4-N-(2,6-difluorophenyl)-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928360
2-N-butan-2-yl-6-methyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112909060
4-N-(3-chlorophenyl)-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112929739
4-N-butan-2-yl-2-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112908993

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine (CID 112909035) is 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is CCC(C)Nc1cc(C)nc(Nc2c(F)cccc2F)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is KZTBQAAUHSNCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-4-9(2)18-13-8-10(3)19-15(20-13)21-14-11(16)6-5-7-12(14)17/h5-9H,4H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 292.33 g/mol, XLogP of 4.02, 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-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).