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

C13H20F2N4O — CID 107495067

IUPAC2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)F)nc(C2CC2)n1
InChIInChI=1S/C13H20F2N4O/c1-2-16-11-7-12(18-13(17-11)9-3-4-9)19(5-6-20)8-10(14)15/h7,9-10,20H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyPIVQSWFJLMLJMN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.85
Rot. Bonds8

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

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107495067) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107495067
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol
SMILESCCNc1cc(N(CCO)CC(F)F)nc(C2CC2)n1
InChIInChI=1S/C13H20F2N4O/c1-2-16-11-7-12(18-13(17-11)9-3-4-9)19(5-6-20)8-10(14)15/h7,9-10,20H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyPIVQSWFJLMLJMN-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332
2-[2,2-difluoroethyl-[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethanol
CID 107495156
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192
2-[butyl-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80961851
2-cyclopropyl-4-N-(2-ethoxyethyl)-4-N,6-N-diethylpyrimidine-4,6-diamine
CID 80957495
2-cyclopropyl-4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80958227
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]propanenitrile
CID 80956049
2-cyclopropyl-6-N-ethyl-4-N-methyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81068249
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol (CID 107495067) is 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol is CCNc1cc(N(CCO)CC(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is PIVQSWFJLMLJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-2-16-11-7-12(18-13(17-11)9-3-4-9)19(5-6-20)8-10(14)15/h7,9-10,20H,2-6,8H2,1H3,(H,16,17,18).
What are the key properties of 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 286.33 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107495067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).