4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine

C10H13ClF2N2O2 — CID 103146688

IUPAC4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H13ClF2N2O2/c1-16-5-7-4-8(11)15-10(14-7)2-3-17-6-9(12)13/h4,9H,2-3,5-6H2,1H3
InChIKeyZTMNYTNWKCHRET-UHFFFAOYSA-N
MW266.67 g/mol
LogP2.10
Rot. Bonds7

About 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine

4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine (PubChem CID 103146688) has the molecular formula C10H13ClF2N2O2 and a molecular weight of 266.67 g/mol. Its IUPAC name is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
PubChem CID103146688
Molecular FormulaC10H13ClF2N2O2
Molecular Weight266.67 g/mol
Exact Mass266.06
IUPAC Name4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(CCOCC(F)F)n1
InChIInChI=1S/C10H13ClF2N2O2/c1-16-5-7-4-8(11)15-10(14-7)2-3-17-6-9(12)13/h4,9H,2-3,5-6H2,1H3
InChIKeyZTMNYTNWKCHRET-UHFFFAOYSA-N
XLogP2.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 52.10
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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Related Compounds

4-chloro-6-ethyl-2-(2-methoxyethyl)pyrimidine
CID 61412759
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
6-chloro-2-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-2,4-diamine
CID 103081629
2-(2-methoxyethyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318766
2-[2-(2,2-difluoroethoxy)ethyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 103150314
2-[2-(2-methoxyethoxy)ethyl]-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102928862
4-chloro-6-(methoxymethyl)-2-(1-methoxy-2-methylpropyl)pyrimidine
CID 116706238
6-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150491
4-tert-butyl-6-chloro-2-(2-methoxyethyl)pyrimidine
CID 61412758
4-chloro-2,6-diethylpyrimidine
CID 43557605
2,4-dichloro-6-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 103146191
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine (CID 103146688) is 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(CCOCC(F)F)n1.
What is the InChIKey of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is ZTMNYTNWKCHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF2N2O2/c1-16-5-7-4-8(11)15-10(14-7)2-3-17-6-9(12)13/h4,9H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine?
4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 266.67 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 103146688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).