6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine

C10H11ClFN3 — CID 10214516

IUPAC6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine
SMILESFc1c(Cl)nc(C2CC2)nc1NC1CC1
InChIInChI=1S/C10H11ClFN3/c11-8-7(12)10(13-6-3-4-6)15-9(14-8)5-1-2-5/h5-6H,1-4H2,(H,13,14,15)
InChIKeyLCCQDYCRIJTCKJ-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine

6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine (PubChem CID 10214516) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine
PubChem CID10214516
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine
SMILESFc1c(Cl)nc(C2CC2)nc1NC1CC1
InChIInChI=1S/C10H11ClFN3/c11-8-7(12)10(13-6-3-4-6)15-9(14-8)5-1-2-5/h5-6H,1-4H2,(H,13,14,15)
InChIKeyLCCQDYCRIJTCKJ-UHFFFAOYSA-N
XLogP2.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine (CID 10214516) is 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine is Fc1c(Cl)nc(C2CC2)nc1NC1CC1.
What is the InChIKey of 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine?
The InChIKey is LCCQDYCRIJTCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3/c11-8-7(12)10(13-6-3-4-6)15-9(14-8)5-1-2-5/h5-6H,1-4H2,(H,13,14,15).
What are the key properties of 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine?
6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine has a molecular weight of 227.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,2-dicyclopropyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 10214516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).