6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine

C10H7BrClFN4 — CID 116797532

IUPAC6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2c(F)cccc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17)
InChIKeyDVFJSQPRWXTNRT-UHFFFAOYSA-N
MW317.55 g/mol
LogP3.36
Rot. Bonds2

About 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine

6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 116797532) has the molecular formula C10H7BrClFN4 and a molecular weight of 317.55 g/mol. Its IUPAC name is 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID116797532
Molecular FormulaC10H7BrClFN4
Molecular Weight317.55 g/mol
Exact Mass315.95
IUPAC Name6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2c(F)cccc2Cl)n1
InChIInChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17)
InChIKeyDVFJSQPRWXTNRT-UHFFFAOYSA-N
XLogP3.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine (CID 116797532) is 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine is Nc1cc(Br)nc(Nc2c(F)cccc2Cl)n1.
What is the InChIKey of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is DVFJSQPRWXTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4/c11-7-4-8(14)16-10(15-7)17-9-5(12)2-1-3-6(9)13/h1-4H,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 317.55 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(2-chloro-6-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).