2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol

C11H18F2N4O — CID 107495156

IUPAC2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)F)nc(C)n1
InChIInChI=1S/C11H18F2N4O/c1-3-14-10-6-11(16-8(2)15-10)17(4-5-18)7-9(12)13/h6,9,18H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyVDNVLCDLDQVZRN-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.28
Rot. Bonds7

About 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol

2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 107495156) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
PubChem CID107495156
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)F)nc(C)n1
InChIInChI=1S/C11H18F2N4O/c1-3-14-10-6-11(16-8(2)15-10)17(4-5-18)7-9(12)13/h6,9,18H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyVDNVLCDLDQVZRN-UHFFFAOYSA-N
XLogP1.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107495067
2-[2,2-difluoroethyl-[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 107495085
2-[ethyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80791441
4-N,4-N-bis(2-ethoxyethyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 82943791
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495264
2-[ethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-N,N-dimethylacetamide
CID 80808678
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332
2-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107482130
2-[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]ethanol
CID 62481923
4-N-cyclopentyl-6-N-ethyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80839121
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol (CID 107495156) is 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol is CCNc1cc(N(CCO)CC(F)F)nc(C)n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is VDNVLCDLDQVZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-14-10-6-11(16-8(2)15-10)17(4-5-18)7-9(12)13/h6,9,18H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol?
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 107495156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).