6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine

C6H8ClFN4 — CID 118559533

IUPAC6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCF)n1
InChIInChI=1S/C6H8ClFN4/c7-4-3-5(10-2-1-8)12-6(9)11-4/h3H,1-2H2,(H3,9,10,11,12)
InChIKeyAEGSJABTXRPNCY-UHFFFAOYSA-N
MW190.61 g/mol
LogP1.09
Rot. Bonds3

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

6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine (PubChem CID 118559533) has the molecular formula C6H8ClFN4 and a molecular weight of 190.61 g/mol. Its IUPAC name is 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
PubChem CID118559533
Molecular FormulaC6H8ClFN4
Molecular Weight190.61 g/mol
Exact Mass190.04
IUPAC Name6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCCF)n1
InChIInChI=1S/C6H8ClFN4/c7-4-3-5(10-2-1-8)12-6(9)11-4/h3H,1-2H2,(H3,9,10,11,12)
InChIKeyAEGSJABTXRPNCY-UHFFFAOYSA-N
XLogP1.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.61
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine (CID 118559533) is 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCCF)n1.
What is the InChIKey of 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is AEGSJABTXRPNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClFN4/c7-4-3-5(10-2-1-8)12-6(9)11-4/h3H,1-2H2,(H3,9,10,11,12).
What are the key properties of 6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 190.61 g/mol, XLogP of 1.09, 3 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-fluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118559533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).