(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol

C9H14N2O — CID 10975848

IUPAC(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol
SMILESCc1ncc([C@@H](O)C(C)C)cn1
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-4-10-7(3)11-5-8/h4-6,9,12H,1-3H3/t9-/m0/s1
InChIKeyKDDKUGKMCOOGIH-VIFPVBQESA-N
MW166.22 g/mol
LogP1.47
Rot. Bonds2

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

(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol (PubChem CID 10975848) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol
PubChem CID10975848
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol
SMILESCc1ncc([C@@H](O)C(C)C)cn1
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-4-10-7(3)11-5-8/h4-6,9,12H,1-3H3/t9-/m0/s1
InChIKeyKDDKUGKMCOOGIH-VIFPVBQESA-N
XLogP1.47
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol?
The IUPAC name of (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol (CID 10975848) is (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol?
The canonical SMILES for (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol is Cc1ncc([C@@H](O)C(C)C)cn1.
What is the InChIKey of (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol?
The InChIKey is KDDKUGKMCOOGIH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9(12)8-4-10-7(3)11-5-8/h4-6,9,12H,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol?
(1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(2-methylpyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 10975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).