(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol

C13H14ClN3O — CID 135104502

IUPAC(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
SMILESCc1ncc(Cl)c(N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-15-7-11(14)13(16-9)17-12(8-18)10-5-3-2-4-6-10/h2-7,12,18H,8H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyLDGBRFSIDJGTJF-LBPRGKRZSA-N
MW263.73 g/mol
LogP2.58
Rot. Bonds4

About (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol

(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 135104502) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID135104502
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
SMILESCc1ncc(Cl)c(N[C@@H](CO)c2ccccc2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-15-7-11(14)13(16-9)17-12(8-18)10-5-3-2-4-6-10/h2-7,12,18H,8H2,1H3,(H,15,16,17)/t12-/m0/s1
InChIKeyLDGBRFSIDJGTJF-LBPRGKRZSA-N
XLogP2.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
CID 144516553
(2S)-2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-phenylethanol
CID 71239843
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridin-3-ylethanol
CID 123675119
(2R)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 86622412
2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(4-fluorophenyl)ethanol
CID 89399641
(2S)-2-[(2,5-dichloropyrimidin-4-yl)amino]-2-(3-fluorophenyl)ethanol
CID 89399630
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
2-[4-[[5-chloro-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,N-dimethylacetamide
CID 71240980
2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2-pyridin-3-ylethanol
CID 78044737
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-[(3-methylquinolin-2-yl)amino]-2-phenylethanol
CID 63228896
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol (CID 135104502) is (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol is Cc1ncc(Cl)c(N[C@@H](CO)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is LDGBRFSIDJGTJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-15-7-11(14)13(16-9)17-12(8-18)10-5-3-2-4-6-10/h2-7,12,18H,8H2,1H3,(H,15,16,17)/t12-/m0/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 263.73 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 135104502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).