(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol

C12H14N4O2 — CID 103431567

IUPAC(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOc1ccc(-c2ncc([C@H](C)O)c(C)n2)nn1
InChIInChI=1S/C12H14N4O2/c1-7-9(8(2)17)6-13-12(14-7)10-4-5-11(18-3)16-15-10/h4-6,8,17H,1-3H3/t8-/m0/s1
InChIKeyAVLIPXKOBMVKGV-QMMMGPOBSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds3

About (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol

(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431567) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431567
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol
SMILESCOc1ccc(-c2ncc([C@H](C)O)c(C)n2)nn1
InChIInChI=1S/C12H14N4O2/c1-7-9(8(2)17)6-13-12(14-7)10-4-5-11(18-3)16-15-10/h4-6,8,17H,1-3H3/t8-/m0/s1
InChIKeyAVLIPXKOBMVKGV-QMMMGPOBSA-N
XLogP1.30
TPSA81.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol (CID 103431567) is (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol is COc1ccc(-c2ncc([C@H](C)O)c(C)n2)nn1.
What is the InChIKey of (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is AVLIPXKOBMVKGV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-9(8(2)17)6-13-12(14-7)10-4-5-11(18-3)16-15-10/h4-6,8,17H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol?
(1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 246.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(6-methoxypyridazin-3-yl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).