2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine

C9H11Cl2FN4 — CID 118464447

IUPAC2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESFCCN1CC(Nc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C9H11Cl2FN4/c10-7-3-13-9(11)15-8(7)14-6-4-16(5-6)2-1-12/h3,6H,1-2,4-5H2,(H,13,14,15)
InChIKeyRTMQXDDXORZBGU-UHFFFAOYSA-N
MW265.12 g/mol
LogP1.85
Rot. Bonds4

About 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine

2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine (PubChem CID 118464447) has the molecular formula C9H11Cl2FN4 and a molecular weight of 265.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine
PubChem CID118464447
Molecular FormulaC9H11Cl2FN4
Molecular Weight265.12 g/mol
Exact Mass264.03
IUPAC Name2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine
SMILESFCCN1CC(Nc2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C9H11Cl2FN4/c10-7-3-13-9(11)15-8(7)14-6-4-16(5-6)2-1-12/h3,6H,1-2,4-5H2,(H,13,14,15)
InChIKeyRTMQXDDXORZBGU-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine (CID 118464447) is 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine is FCCN1CC(Nc2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
The InChIKey is RTMQXDDXORZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2FN4/c10-7-3-13-9(11)15-8(7)14-6-4-16(5-6)2-1-12/h3,6H,1-2,4-5H2,(H,13,14,15).
What are the key properties of 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine?
2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine has a molecular weight of 265.12 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2-fluoroethyl)azetidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118464447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).