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

C15H19FN4 — CID 112864218

IUPAC4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C15H19FN4/c1-3-4-9-20(2)15-10-14(17-11-18-15)19-13-8-6-5-7-12(13)16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyBHPNDGCJHPLEJM-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.60
Rot. Bonds6

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

4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 112864218) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID112864218
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2ccccc2F)ncn1
InChIInChI=1S/C15H19FN4/c1-3-4-9-20(2)15-10-14(17-11-18-15)19-13-8-6-5-7-12(13)16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19)
InChIKeyBHPNDGCJHPLEJM-UHFFFAOYSA-N
XLogP3.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278
4-N-butyl-6-N-(4-tert-butylphenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864217
6-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112857813
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
[6-[methyl(pentyl)amino]pyrimidin-4-yl]cyanamide
CID 115264736
methyl 3-[[6-[butyl(methyl)amino]pyrimidin-4-yl]amino]-4-chlorobenzoate
CID 112864253
6-N-(1,3-benzodioxol-5-yl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864267
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine
CID 23491728
6-[butyl(methyl)amino]-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348168
4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760577
6-N-(2-amino-2-methylpropyl)-4-N-methyl-4-N-pentylpyrimidine-4,6-diamine
CID 115263934

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine (CID 112864218) is 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2ccccc2F)ncn1.
What is the InChIKey of 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is BHPNDGCJHPLEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-4-9-20(2)15-10-14(17-11-18-15)19-13-8-6-5-7-12(13)16/h5-8,10-11H,3-4,9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine?
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).