2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol

C12H20F2N4O — CID 107495213

IUPAC2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncnc(N(CCO)CC(F)F)c1CC
InChIInChI=1S/C12H20F2N4O/c1-3-9-11(15-4-2)16-8-17-12(9)18(5-6-19)7-10(13)14/h8,10,19H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMQVBMHCJGXCCCO-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.53
Rot. Bonds8

About 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol

2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 107495213) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID107495213
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCNc1ncnc(N(CCO)CC(F)F)c1CC
InChIInChI=1S/C12H20F2N4O/c1-3-9-11(15-4-2)16-8-17-12(9)18(5-6-19)7-10(13)14/h8,10,19H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyMQVBMHCJGXCCCO-UHFFFAOYSA-N
XLogP1.53
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-Amino-5-ethylpyrimidin-4-YL)amino]-3-(dimethylamino)propan-2-OL
CID 72854104
2-[[2-Amino-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 141126369
N-[6-(dimethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]formamide
CID 286100
6-chloro-5-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63834432
5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80777392
5-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80784894
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
6-N-ethyl-5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785541
6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785912
6-N-methyl-5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786205
5-ethyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786211
5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80786474

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol (CID 107495213) is 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol is CCNc1ncnc(N(CCO)CC(F)F)c1CC.
What is the InChIKey of 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is MQVBMHCJGXCCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-3-9-11(15-4-2)16-8-17-12(9)18(5-6-19)7-10(13)14/h8,10,19H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol?
2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 274.31 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 107495213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).