2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine

C17H19FN6 — CID 16910636

IUPAC2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(F)cc2)c2nccnc2n1
InChIInChI=1S/C17H19FN6/c1-3-4-11-24(2)17-22-15-14(19-9-10-20-15)16(23-17)21-13-7-5-12(18)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,20,21,22,23)
InChIKeyWXUFWVVLWUKWAJ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.54
Rot. Bonds6

About 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine

2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine (PubChem CID 16910636) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
PubChem CID16910636
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine
SMILESCCCCN(C)c1nc(Nc2ccc(F)cc2)c2nccnc2n1
InChIInChI=1S/C17H19FN6/c1-3-4-11-24(2)17-22-15-14(19-9-10-20-15)16(23-17)21-13-7-5-12(18)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,20,21,22,23)
InChIKeyWXUFWVVLWUKWAJ-UHFFFAOYSA-N
XLogP3.54
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-butyl-4-N-(4-methoxyphenyl)-2-N-methylpteridine-2,4-diamine
CID 16910832
2-N,2-N-dibutyl-4-N-(3,4-dimethylphenyl)pteridine-2,4-diamine
CID 16910879
2-N-(2,2-diethoxyethyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910626
2-N-cyclohexyl-4-N-(4-fluorophenyl)pteridine-2,4-diamine
CID 16910617
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pteridin-4-amine
CID 16820883
N-butyl-4-fluoro-N-methylaniline
CID 70573878
2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20760965
4-N-(4-fluorophenyl)-2-N-(2-thiophen-2-ylethyl)pteridine-2,4-diamine
CID 51699968
2-N-butyl-2-N-methyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112900705
4-N-(4-methylphenyl)-2-N-prop-2-enylpteridine-2,4-diamine
CID 16910744
2-N-butyl-4-N-(4-methoxyphenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112925744
4-N-butyl-6-N-(4-chlorophenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 19139806

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine?
The IUPAC name of 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine (CID 16910636) is 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine.
What is the SMILES notation for 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine?
The canonical SMILES for 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine is CCCCN(C)c1nc(Nc2ccc(F)cc2)c2nccnc2n1.
What is the InChIKey of 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine?
The InChIKey is WXUFWVVLWUKWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-3-4-11-24(2)17-22-15-14(19-9-10-20-15)16(23-17)21-13-7-5-12(18)6-8-13/h5-10H,3-4,11H2,1-2H3,(H,20,21,22,23).
What are the key properties of 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine?
2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine has a molecular weight of 326.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(4-fluorophenyl)-2-N-methylpteridine-2,4-diamine is sourced from PubChem (CID 16910636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).