2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine

C12H10Cl2FN3O2 — CID 22060622

IUPAC2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine
SMILESCOc1cc(Nc2nc(Cl)ncc2F)c(OC)cc1Cl
InChIInChI=1S/C12H10Cl2FN3O2/c1-19-9-4-8(10(20-2)3-6(9)13)17-11-7(15)5-16-12(14)18-11/h3-5H,1-2H3,(H,16,17,18)
InChIKeyBKMAMPRFRNGPTF-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.68
Rot. Bonds4

About 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine

2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine (PubChem CID 22060622) has the molecular formula C12H10Cl2FN3O2 and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine
PubChem CID22060622
Molecular FormulaC12H10Cl2FN3O2
Molecular Weight318.14 g/mol
Exact Mass317.01
IUPAC Name2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine
SMILESCOc1cc(Nc2nc(Cl)ncc2F)c(OC)cc1Cl
InChIInChI=1S/C12H10Cl2FN3O2/c1-19-9-4-8(10(20-2)3-6(9)13)17-11-7(15)5-16-12(14)18-11/h3-5H,1-2H3,(H,16,17,18)
InChIKeyBKMAMPRFRNGPTF-UHFFFAOYSA-N
XLogP3.68
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine (CID 22060622) is 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine is COc1cc(Nc2nc(Cl)ncc2F)c(OC)cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine?
The InChIKey is BKMAMPRFRNGPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O2/c1-19-9-4-8(10(20-2)3-6(9)13)17-11-7(15)5-16-12(14)18-11/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine has a molecular weight of 318.14 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 22060622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).