4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine

C10H12ClF2N3O — CID 175640130

IUPAC4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine
SMILESCCOc1nc(Cl)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C10H12ClF2N3O/c1-2-17-9-14-7(11)5-8(15-9)16-4-3-10(12,13)6-16/h5H,2-4,6H2,1H3
InChIKeySMRTYILVXRMXJE-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.37
Rot. Bonds3

About 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine

4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine (PubChem CID 175640130) has the molecular formula C10H12ClF2N3O and a molecular weight of 263.67 g/mol. Its IUPAC name is 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine
PubChem CID175640130
Molecular FormulaC10H12ClF2N3O
Molecular Weight263.67 g/mol
Exact Mass263.06
IUPAC Name4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine
SMILESCCOc1nc(Cl)cc(N2CCC(F)(F)C2)n1
InChIInChI=1S/C10H12ClF2N3O/c1-2-17-9-14-7(11)5-8(15-9)16-4-3-10(12,13)6-16/h5H,2-4,6H2,1H3
InChIKeySMRTYILVXRMXJE-UHFFFAOYSA-N
XLogP2.37
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine?
The IUPAC name of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine (CID 175640130) is 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine.
What is the SMILES notation for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine?
The canonical SMILES for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine is CCOc1nc(Cl)cc(N2CCC(F)(F)C2)n1.
What is the InChIKey of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine?
The InChIKey is SMRTYILVXRMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N3O/c1-2-17-9-14-7(11)5-8(15-9)16-4-3-10(12,13)6-16/h5H,2-4,6H2,1H3.
What are the key properties of 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine?
4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine has a molecular weight of 263.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3-difluoropyrrolidin-1-yl)-2-ethoxypyrimidine is sourced from PubChem (CID 175640130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).