(1R)-1-(2-chloropyrimidin-4-yl)ethanol

C6H7ClN2O — CID 124566529

IUPAC(1R)-1-(2-chloropyrimidin-4-yl)ethanol
SMILESC[C@@H](O)c1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-2-3-8-6(7)9-5/h2-4,10H,1H3/t4-/m1/s1
InChIKeyMIUDYNZFUBDJPT-SCSAIBSYSA-N
MW158.59 g/mol
LogP1.18
Rot. Bonds1

About (1R)-1-(2-chloropyrimidin-4-yl)ethanol

(1R)-1-(2-chloropyrimidin-4-yl)ethanol (PubChem CID 124566529) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is (1R)-1-(2-chloropyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2-chloropyrimidin-4-yl)ethanol
PubChem CID124566529
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name(1R)-1-(2-chloropyrimidin-4-yl)ethanol
SMILESC[C@@H](O)c1ccnc(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4(10)5-2-3-8-6(7)9-5/h2-4,10H,1H3/t4-/m1/s1
InChIKeyMIUDYNZFUBDJPT-SCSAIBSYSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yl-2-chloropyrimidine
CID 44613886
2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
CID 134264029
1-(2-methoxypyrimidin-4-yl)ethanol
CID 10261289
1-(2-methylsulfanylpyrimidin-4-yl)ethanol
CID 59892248
(2R)-1-[(2-chloropyrimidin-4-yl)amino]propan-2-ol
CID 94405682
2-chloro-N-(3-methylbutan-2-yl)pyrimidin-4-amine
CID 62338504
2-chloro-N-[(2R)-3-methylbutan-2-yl]pyrimidin-4-amine
CID 94405665
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
2-(2-chloropyrimidin-4-yl)sulfanylpropan-1-ol
CID 115695421
2-bromo-1-(2-chlorophenyl)-2-(2-chloropyrimidin-4-yl)ethanone
CID 164588867
1-[(2-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 115695381

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chloropyrimidin-4-yl)ethanol?
The IUPAC name of (1R)-1-(2-chloropyrimidin-4-yl)ethanol (CID 124566529) is (1R)-1-(2-chloropyrimidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-(2-chloropyrimidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-(2-chloropyrimidin-4-yl)ethanol is C[C@@H](O)c1ccnc(Cl)n1.
What is the InChIKey of (1R)-1-(2-chloropyrimidin-4-yl)ethanol?
The InChIKey is MIUDYNZFUBDJPT-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4(10)5-2-3-8-6(7)9-5/h2-4,10H,1H3/t4-/m1/s1.
What are the key properties of (1R)-1-(2-chloropyrimidin-4-yl)ethanol?
(1R)-1-(2-chloropyrimidin-4-yl)ethanol has a molecular weight of 158.59 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chloropyrimidin-4-yl)ethanol is sourced from PubChem (CID 124566529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).