(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol

C12H11Cl2N3O — CID 103431234

IUPAC(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ncc(Cl)cc2Cl)ncc1[C@@H](C)O
InChIInChI=1S/C12H11Cl2N3O/c1-6-9(7(2)18)5-16-12(17-6)11-10(14)3-8(13)4-15-11/h3-5,7,18H,1-2H3/t7-/m1/s1
InChIKeyCPLFEALHCWIDLU-SSDOTTSWSA-N
MW284.15 g/mol
LogP3.21
Rot. Bonds2

About (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol

(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol (PubChem CID 103431234) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
PubChem CID103431234
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol
SMILESCc1nc(-c2ncc(Cl)cc2Cl)ncc1[C@@H](C)O
InChIInChI=1S/C12H11Cl2N3O/c1-6-9(7(2)18)5-16-12(17-6)11-10(14)3-8(13)4-15-11/h3-5,7,18H,1-2H3/t7-/m1/s1
InChIKeyCPLFEALHCWIDLU-SSDOTTSWSA-N
XLogP3.21
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol?
The IUPAC name of (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol (CID 103431234) is (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol?
The canonical SMILES for (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol is Cc1nc(-c2ncc(Cl)cc2Cl)ncc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol?
The InChIKey is CPLFEALHCWIDLU-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-6-9(7(2)18)5-16-12(17-6)11-10(14)3-8(13)4-15-11/h3-5,7,18H,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol?
(1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol has a molecular weight of 284.15 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,5-dichloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanol is sourced from PubChem (CID 103431234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).