1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol

C11H16F2N2O2 — CID 103150772

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(CCOCC(F)F)ncc1C(C)O
InChIInChI=1S/C11H16F2N2O2/c1-7-9(8(2)16)5-14-11(15-7)3-4-17-6-10(12)13/h5,8,10,16H,3-4,6H2,1-2H3
InChIKeyHOLAKPZGTHKCRN-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.66
Rot. Bonds6

About 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103150772) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
PubChem CID103150772
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(CCOCC(F)F)ncc1C(C)O
InChIInChI=1S/C11H16F2N2O2/c1-7-9(8(2)16)5-14-11(15-7)3-4-17-6-10(12)13/h5,8,10,16H,3-4,6H2,1-2H3
InChIKeyHOLAKPZGTHKCRN-UHFFFAOYSA-N
XLogP1.66
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[2-(3-methoxypropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431529
(1S)-1-[2-[2-(diethylamino)ethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431515
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 103150191
(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
CID 103431732
1-[2-[2-(2-methoxyethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 102929088
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]pyrimidine-5-carboxamide
CID 103151381
N-[2-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 103150808
2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 103151407
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 103151376
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 103150529
1-[2-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 62770507
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 103150327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol (CID 103150772) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol is Cc1nc(CCOCC(F)F)ncc1C(C)O.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is HOLAKPZGTHKCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-7-9(8(2)16)5-14-11(15-7)3-4-17-6-10(12)13/h5,8,10,16H,3-4,6H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 246.26 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103150772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).