2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

C10H13ClFN3O — CID 79076006

IUPAC2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H13ClFN3O/c1-16-6-7-2-3-15(5-7)9-8(12)4-13-10(11)14-9/h4,7H,2-3,5-6H2,1H3
InChIKeyCPYIPMNHMNRRKC-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.74
Rot. Bonds3

About 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine

2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 79076006) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID79076006
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
SMILESCOCC1CCN(c2nc(Cl)ncc2F)C1
InChIInChI=1S/C10H13ClFN3O/c1-16-6-7-2-3-15(5-7)9-8(12)4-13-10(11)14-9/h4,7H,2-3,5-6H2,1H3
InChIKeyCPYIPMNHMNRRKC-UHFFFAOYSA-N
XLogP1.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine (CID 79076006) is 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is COCC1CCN(c2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is CPYIPMNHMNRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-16-6-7-2-3-15(5-7)9-8(12)4-13-10(11)14-9/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine?
2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 245.68 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 79076006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).