2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol

C11H16ClF2N3O2 — CID 107482130

IUPAC2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCOCc1nc(Cl)cc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O2/c1-2-19-7-10-15-8(12)5-11(16-10)17(3-4-18)6-9(13)14/h5,9,18H,2-4,6-7H2,1H3
InChIKeyLVHVEKMBVMQUCL-UHFFFAOYSA-N
MW295.72 g/mol
LogP1.73
Rot. Bonds8

About 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol

2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482130) has the molecular formula C11H16ClF2N3O2 and a molecular weight of 295.72 g/mol. Its IUPAC name is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482130
Molecular FormulaC11H16ClF2N3O2
Molecular Weight295.72 g/mol
Exact Mass295.09
IUPAC Name2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCOCc1nc(Cl)cc(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O2/c1-2-19-7-10-15-8(12)5-11(16-10)17(3-4-18)6-9(13)14/h5,9,18H,2-4,6-7H2,1H3
InChIKeyLVHVEKMBVMQUCL-UHFFFAOYSA-N
XLogP1.73
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]ethanol
CID 113400870
1-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 113400905
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
2-[[2-[bis(2-hydroxyethyl)amino]-6-chloropyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
CID 10426184
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
2-[2,2-difluoroethyl-(6-methoxy-2-pyridinyl)amino]ethanol
CID 107484208
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495067
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
4-but-3-yn-2-yloxy-6-chloro-2-(ethoxymethyl)pyrimidine
CID 106794787

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107482130) is 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol is CCOCc1nc(Cl)cc(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is LVHVEKMBVMQUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3O2/c1-2-19-7-10-15-8(12)5-11(16-10)17(3-4-18)6-9(13)14/h5,9,18H,2-4,6-7H2,1H3.
What are the key properties of 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 295.72 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).