(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol

C10H16N2O — CID 130927837

IUPAC(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol
SMILESCCc1nc(C)ncc1[C@@H](O)CC
InChIInChI=1S/C10H16N2O/c1-4-9-8(10(13)5-2)6-11-7(3)12-9/h6,10,13H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyVKBISTCVKABLCG-JTQLQIEISA-N
MW180.25 g/mol
LogP1.79
Rot. Bonds3

About (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol

(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol (PubChem CID 130927837) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol
PubChem CID130927837
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol
SMILESCCc1nc(C)ncc1[C@@H](O)CC
InChIInChI=1S/C10H16N2O/c1-4-9-8(10(13)5-2)6-11-7(3)12-9/h6,10,13H,4-5H2,1-3H3/t10-/m0/s1
InChIKeyVKBISTCVKABLCG-JTQLQIEISA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol?
The IUPAC name of (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol (CID 130927837) is (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol?
The canonical SMILES for (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol is CCc1nc(C)ncc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol?
The InChIKey is VKBISTCVKABLCG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O/c1-4-9-8(10(13)5-2)6-11-7(3)12-9/h6,10,13H,4-5H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol?
(1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethyl-2-methylpyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 130927837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).