2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine

C9H6Cl2FN3S — CID 79076405

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccc(Cl)s1
InChIInChI=1S/C9H6Cl2FN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15)
InChIKeyNISOTKKGAJZVLX-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.60
Rot. Bonds3

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine (PubChem CID 79076405) has the molecular formula C9H6Cl2FN3S and a molecular weight of 278.14 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
PubChem CID79076405
Molecular FormulaC9H6Cl2FN3S
Molecular Weight278.14 g/mol
Exact Mass276.96
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccc(Cl)s1
InChIInChI=1S/C9H6Cl2FN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15)
InChIKeyNISOTKKGAJZVLX-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine (CID 79076405) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
The InChIKey is NISOTKKGAJZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2FN3S/c10-7-2-1-5(16-7)3-13-8-6(12)4-14-9(11)15-8/h1-2,4H,3H2,(H,13,14,15).
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine has a molecular weight of 278.14 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 79076405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).