2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine

C10H13ClFN3O — CID 79081086

IUPAC2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCC1CCCO1
InChIInChI=1S/C10H13ClFN3O/c11-10-14-6-8(12)9(15-10)13-4-3-7-2-1-5-16-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyYLISYTHRNGEJIB-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79081086) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79081086
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCCC1CCCO1
InChIInChI=1S/C10H13ClFN3O/c11-10-14-6-8(12)9(15-10)13-4-3-7-2-1-5-16-7/h6-7H,1-5H2,(H,13,14,15)
InChIKeyYLISYTHRNGEJIB-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine (CID 79081086) is 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine is Fc1cnc(Cl)nc1NCCC1CCCO1.
What is the InChIKey of 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is YLISYTHRNGEJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c11-10-14-6-8(12)9(15-10)13-4-3-7-2-1-5-16-7/h6-7H,1-5H2,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 245.68 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79081086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).