(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol

C16H18N2O2 — CID 103431535

IUPAC(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(C2COc3ccccc3C2)ncc1[C@H](C)O
InChIInChI=1S/C16H18N2O2/c1-10-14(11(2)19)8-17-16(18-10)13-7-12-5-3-4-6-15(12)20-9-13/h3-6,8,11,13,19H,7,9H2,1-2H3/t11-,13?/m0/s1
InChIKeyXLFGPYOTOXMMKG-AMGKYWFPSA-N
MW270.33 g/mol
LogP2.56
Rot. Bonds2

About (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431535) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431535
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(C2COc3ccccc3C2)ncc1[C@H](C)O
InChIInChI=1S/C16H18N2O2/c1-10-14(11(2)19)8-17-16(18-10)13-7-12-5-3-4-6-15(12)20-9-13/h3-6,8,11,13,19H,7,9H2,1-2H3/t11-,13?/m0/s1
InChIKeyXLFGPYOTOXMMKG-AMGKYWFPSA-N
XLogP2.56
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
CID 65404041
4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
CID 116647896
1-[2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 106601994
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
1-cyclopropyl-2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 65406253

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol (CID 103431535) is (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(C2COc3ccccc3C2)ncc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is XLFGPYOTOXMMKG-AMGKYWFPSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-14(11(2)19)8-17-16(18-10)13-7-12-5-3-4-6-15(12)20-9-13/h3-6,8,11,13,19H,7,9H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 270.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).