2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine

C7H7ClFN3 — CID 5306794

IUPAC2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C7H7ClFN3/c8-7-10-3-5(9)6(12-7)11-4-1-2-4/h3-4H,1-2H2,(H,10,11,12)
InChIKeyQEMIWJUDZORNEP-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.84
Rot. Bonds2

About 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine

2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine (PubChem CID 5306794) has the molecular formula C7H7ClFN3 and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
PubChem CID5306794
Molecular FormulaC7H7ClFN3
Molecular Weight187.60 g/mol
Exact Mass187.03
IUPAC Name2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CC1
InChIInChI=1S/C7H7ClFN3/c8-7-10-3-5(9)6(12-7)11-4-1-2-4/h3-4H,1-2H2,(H,10,11,12)
InChIKeyQEMIWJUDZORNEP-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine (CID 5306794) is 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine?
The InChIKey is QEMIWJUDZORNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3/c8-7-10-3-5(9)6(12-7)11-4-1-2-4/h3-4H,1-2H2,(H,10,11,12).
What are the key properties of 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine?
2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine has a molecular weight of 187.60 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 5306794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).