1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine

C8H10ClFN4 — CID 51138331

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C8H10ClFN4/c9-8-12-3-6(10)7(13-8)14-2-1-5(11)4-14/h3,5H,1-2,4,11H2
InChIKeyOMPPWUACLONIIR-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.81
Rot. Bonds1

About 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine

1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 51138331) has the molecular formula C8H10ClFN4 and a molecular weight of 216.65 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID51138331
Molecular FormulaC8H10ClFN4
Molecular Weight216.65 g/mol
Exact Mass216.06
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C8H10ClFN4/c9-8-12-3-6(10)7(13-8)14-2-1-5(11)4-14/h3,5H,1-2,4,11H2
InChIKeyOMPPWUACLONIIR-UHFFFAOYSA-N
XLogP0.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine (CID 51138331) is 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine is NC1CCN(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is OMPPWUACLONIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN4/c9-8-12-3-6(10)7(13-8)14-2-1-5(11)4-14/h3,5H,1-2,4,11H2.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine?
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 216.65 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 51138331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).