(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol

C8H12N2O2 — CID 122702059

IUPAC(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol
SMILESCc1cnc([C@@H](O)[C@@H](C)O)nc1
InChIInChI=1S/C8H12N2O2/c1-5-3-9-8(10-4-5)7(12)6(2)11/h3-4,6-7,11-12H,1-2H3/t6-,7+/m1/s1
InChIKeyLPADTGJXKDLGBF-RQJHMYQMSA-N
MW168.20 g/mol
LogP0.20
Rot. Bonds2

About (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol

(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol (PubChem CID 122702059) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol
PubChem CID122702059
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol
SMILESCc1cnc([C@@H](O)[C@@H](C)O)nc1
InChIInChI=1S/C8H12N2O2/c1-5-3-9-8(10-4-5)7(12)6(2)11/h3-4,6-7,11-12H,1-2H3/t6-,7+/m1/s1
InChIKeyLPADTGJXKDLGBF-RQJHMYQMSA-N
XLogP0.20
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol?
The IUPAC name of (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol (CID 122702059) is (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol?
The canonical SMILES for (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol is Cc1cnc([C@@H](O)[C@@H](C)O)nc1.
What is the InChIKey of (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol?
The InChIKey is LPADTGJXKDLGBF-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-3-9-8(10-4-5)7(12)6(2)11/h3-4,6-7,11-12H,1-2H3/t6-,7+/m1/s1.
What are the key properties of (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol?
(1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol has a molecular weight of 168.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(5-methylpyrimidin-2-yl)propane-1,2-diol is sourced from PubChem (CID 122702059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).