6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine

C12H12ClFN4 — CID 55134343

IUPAC6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C12H12ClFN4/c13-11-10(15)12(18-7-17-11)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6,15H2,(H,16,17,18)
InChIKeyNWSLFFLCWBXPNN-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.51
Rot. Bonds4

About 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine

6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine (PubChem CID 55134343) has the molecular formula C12H12ClFN4 and a molecular weight of 266.71 g/mol. Its IUPAC name is 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
PubChem CID55134343
Molecular FormulaC12H12ClFN4
Molecular Weight266.71 g/mol
Exact Mass266.07
IUPAC Name6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
SMILESNc1c(Cl)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C12H12ClFN4/c13-11-10(15)12(18-7-17-11)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6,15H2,(H,16,17,18)
InChIKeyNWSLFFLCWBXPNN-UHFFFAOYSA-N
XLogP2.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
6-chloro-4-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrimidine-4,5-diamine
CID 63023407
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
CID 14022412
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541754
6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
4-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19137069
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine (CID 55134343) is 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine is Nc1c(Cl)ncnc1NCCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is NWSLFFLCWBXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4/c13-11-10(15)12(18-7-17-11)16-6-5-8-1-3-9(14)4-2-8/h1-4,7H,5-6,15H2,(H,16,17,18).
What are the key properties of 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine?
6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 266.71 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 55134343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).