(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol

C12H12ClN3O — CID 129369078

IUPAC(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
SMILESOC[C@H](Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c13-11-6-12(15-8-14-11)16-10(7-17)9-4-2-1-3-5-9/h1-6,8,10,17H,7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyVZEDPCYEZYWAHI-JTQLQIEISA-N
MW249.70 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol

(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 129369078) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID129369078
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
SMILESOC[C@H](Nc1cc(Cl)ncn1)c1ccccc1
InChIInChI=1S/C12H12ClN3O/c13-11-6-12(15-8-14-11)16-10(7-17)9-4-2-1-3-5-9/h1-6,8,10,17H,7H2,(H,14,15,16)/t10-/m0/s1
InChIKeyVZEDPCYEZYWAHI-JTQLQIEISA-N
XLogP2.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491
2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
2-phenyl-2-(pyrazin-2-ylamino)ethanol
CID 63183280
N-(6-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 114050017
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-[(6-amino-2-pyridinyl)amino]-2-phenylethanol
CID 80647264
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
4-chloro-6-[(1S)-1-phenylpropyl]pyrimidine
CID 129496758
3-[(6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 66169551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol (CID 129369078) is (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol is OC[C@H](Nc1cc(Cl)ncn1)c1ccccc1.
What is the InChIKey of (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is VZEDPCYEZYWAHI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-6-12(15-8-14-11)16-10(7-17)9-4-2-1-3-5-9/h1-6,8,10,17H,7H2,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol?
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 249.70 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 129369078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).