4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

C15H19FN4 — CID 112864011

IUPAC4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H19FN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-5-3-12(16)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyXHTMRTDLZOENFI-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.82
Rot. Bonds6

About 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine

4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (PubChem CID 112864011) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
PubChem CID112864011
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
SMILESCC(C)CCNc1cc(Nc2ccc(F)cc2)ncn1
InChIInChI=1S/C15H19FN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-5-3-12(16)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyXHTMRTDLZOENFI-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
4-N-(3,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864034
4-N-(3,4-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865231
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
4-N-(4-fluorophenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854982
4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
1-[3-[[6-(3-methylbutylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112864038
4-N-(3,5-dimethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865264
4-N-(2-chlorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864012
4-N-(4-methylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855340
5-N-(4-fluorophenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959706

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine (CID 112864011) is 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is CC(C)CCNc1cc(Nc2ccc(F)cc2)ncn1.
What is the InChIKey of 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
The InChIKey is XHTMRTDLZOENFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-11(2)7-8-17-14-9-15(19-10-18-14)20-13-5-3-12(16)4-6-13/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine?
4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-fluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112864011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).