2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine

C10H5Cl3FN3 — CID 79632577

IUPAC2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)cc1Cl
InChIInChI=1S/C10H5Cl3FN3/c11-6-3-5(1-2-8(6)14)16-9-7(12)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyBAHGWOJRYIFGDG-UHFFFAOYSA-N
MW292.53 g/mol
LogP4.32
Rot. Bonds2

About 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine

2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine (PubChem CID 79632577) has the molecular formula C10H5Cl3FN3 and a molecular weight of 292.53 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
PubChem CID79632577
Molecular FormulaC10H5Cl3FN3
Molecular Weight292.53 g/mol
Exact Mass290.95
IUPAC Name2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
SMILESFc1ccc(Nc2nc(Cl)ncc2Cl)cc1Cl
InChIInChI=1S/C10H5Cl3FN3/c11-6-3-5(1-2-8(6)14)16-9-7(12)4-15-10(13)17-9/h1-4H,(H,15,16,17)
InChIKeyBAHGWOJRYIFGDG-UHFFFAOYSA-N
XLogP4.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79632373
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
4-[(2,5-dichloropyrimidin-4-yl)amino]phenol
CID 150084740
2-chloro-N-(3-chloro-4-fluorophenyl)-7H-purin-6-amine
CID 113442631
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2-chloro-N-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 145420271
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
2-chloro-5-fluoro-N-naphthalen-2-ylpyrimidin-4-amine
CID 79081850
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine (CID 79632577) is 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine is Fc1ccc(Nc2nc(Cl)ncc2Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
The InChIKey is BAHGWOJRYIFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3FN3/c11-6-3-5(1-2-8(6)14)16-9-7(12)4-15-10(13)17-9/h1-4H,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine?
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine has a molecular weight of 292.53 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 79632577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).