4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine

C14H16F2N4 — CID 166745084

IUPAC4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine
SMILESNCC(N)CCc1ccc(-c2ncc(F)cn2)cc1F
InChIInChI=1S/C14H16F2N4/c15-11-7-19-14(20-8-11)10-2-1-9(13(16)5-10)3-4-12(18)6-17/h1-2,5,7-8,12H,3-4,6,17-18H2
InChIKeyFZPIQXKACORAPG-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.64
Rot. Bonds5

About 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine

4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine (PubChem CID 166745084) has the molecular formula C14H16F2N4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine
PubChem CID166745084
Molecular FormulaC14H16F2N4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine
SMILESNCC(N)CCc1ccc(-c2ncc(F)cn2)cc1F
InChIInChI=1S/C14H16F2N4/c15-11-7-19-14(20-8-11)10-2-1-9(13(16)5-10)3-4-12(18)6-17/h1-2,5,7-8,12H,3-4,6,17-18H2
InChIKeyFZPIQXKACORAPG-UHFFFAOYSA-N
XLogP1.64
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-[[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]methyl]propane-1,2-diamine
CID 175073722
2-(3-fluoro-4-heptylphenyl)-5-octylpyrimidine
CID 21270948
5-decyl-2-[3-fluoro-4-(5-fluorohexyl)phenyl]pyrimidine
CID 21197056
2-(4-decyl-3-fluorophenyl)-5-(6-fluoroheptyl)pyrimidine
CID 22370325
2-(4-butyl-3-fluorophenyl)-5-hexylpyrimidine
CID 21270967
3-[2-(4-fluorophenyl)pyrimidin-5-yl]-1-phenylpropan-1-amine
CID 91132178
4-(2,4-difluorophenyl)-1-methoxybutan-2-amine
CID 62318724
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
5-decoxy-2-[3-fluoro-4-(4-fluoropentyl)phenyl]pyrimidine
CID 21197143
2-(3-fluoro-4-pentylphenyl)-5-(4-heptylphenyl)pyrimidine
CID 21270905
2-[4-chloro-3-(chloromethyl)phenyl]-5-fluoropyrimidine
CID 167496080
[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
CID 82802967

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine?
The IUPAC name of 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine (CID 166745084) is 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine.
What is the SMILES notation for 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine?
The canonical SMILES for 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine is NCC(N)CCc1ccc(-c2ncc(F)cn2)cc1F.
What is the InChIKey of 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine?
The InChIKey is FZPIQXKACORAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4/c15-11-7-19-14(20-8-11)10-2-1-9(13(16)5-10)3-4-12(18)6-17/h1-2,5,7-8,12H,3-4,6,17-18H2.
What are the key properties of 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine?
4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine has a molecular weight of 278.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(5-fluoropyrimidin-2-yl)phenyl]butane-1,2-diamine is sourced from PubChem (CID 166745084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).