2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine

C9H11ClF2N2O2 — CID 170576761

IUPAC2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1cc(C(C)(F)F)nc(Cl)n1
InChIInChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(14-8(10)13-6)16-4-3-15-2/h5H,3-4H2,1-2H3
InChIKeyKUWLUIDAURNXMC-UHFFFAOYSA-N
MW252.65 g/mol
LogP2.27
Rot. Bonds5

About 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine

2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine (PubChem CID 170576761) has the molecular formula C9H11ClF2N2O2 and a molecular weight of 252.65 g/mol. Its IUPAC name is 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine
PubChem CID170576761
Molecular FormulaC9H11ClF2N2O2
Molecular Weight252.65 g/mol
Exact Mass252.05
IUPAC Name2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine
SMILESCOCCOc1cc(C(C)(F)F)nc(Cl)n1
InChIInChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(14-8(10)13-6)16-4-3-15-2/h5H,3-4H2,1-2H3
InChIKeyKUWLUIDAURNXMC-UHFFFAOYSA-N
XLogP2.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.65
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine (CID 170576761) is 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine is COCCOc1cc(C(C)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine?
The InChIKey is KUWLUIDAURNXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2N2O2/c1-9(11,12)6-5-7(14-8(10)13-6)16-4-3-15-2/h5H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine?
2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine has a molecular weight of 252.65 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-difluoroethyl)-6-(2-methoxyethoxy)pyrimidine is sourced from PubChem (CID 170576761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).