(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol

C11H12N2O2 — CID 103431623

IUPAC(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccco2)ncc1[C@H](C)O
InChIInChI=1S/C11H12N2O2/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6,8,14H,1-2H3/t8-/m0/s1
InChIKeyXDQRUXMEZBSNOJ-QMMMGPOBSA-N
MW204.23 g/mol
LogP2.10
Rot. Bonds2

About (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431623) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431623
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ccco2)ncc1[C@H](C)O
InChIInChI=1S/C11H12N2O2/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6,8,14H,1-2H3/t8-/m0/s1
InChIKeyXDQRUXMEZBSNOJ-QMMMGPOBSA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 94587547
1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 62771891
(1R)-1-[4-methyl-2-(1-methylpyrazol-3-yl)pyrimidin-5-yl]ethanol
CID 103431364
(1S)-1-[2-(4-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431586
3-[5-(1-hydroxyethyl)-4-methylpyrimidin-2-yl]phenol
CID 107922082
1-[5-(furan-2-yl)-2-methylfuran-3-yl]ethanol
CID 123831325
4-[5-[(1S)-1-hydroxyethyl]-4-methylpyrimidin-2-yl]benzene-1,2-diol
CID 136938643
(1R)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanol
CID 103431263
(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431567
(1R)-1-[2-(4-fluoro-3-methylphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587725
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
4-ethyl-2-(furan-2-yl)pyrimidin-5-amine
CID 82374827

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol (CID 103431623) is (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(-c2ccco2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is XDQRUXMEZBSNOJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-9(8(2)14)6-12-11(13-7)10-4-3-5-15-10/h3-6,8,14H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 204.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).