(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol

C15H19N3O — CID 133460882

IUPAC(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
SMILESCCc1cc(N[C@H](CO)c2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3O/c1-3-13-9-15(17-11(2)16-13)18-14(10-19)12-7-5-4-6-8-12/h4-9,14,19H,3,10H2,1-2H3,(H,16,17,18)/t14-/m1/s1
InChIKeyVSGINNJXMWZNAX-CQSZACIVSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds5

About (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol

(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 133460882) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID133460882
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
SMILESCCc1cc(N[C@H](CO)c2ccccc2)nc(C)n1
InChIInChI=1S/C15H19N3O/c1-3-13-9-15(17-11(2)16-13)18-14(10-19)12-7-5-4-6-8-12/h4-9,14,19H,3,10H2,1-2H3,(H,16,17,18)/t14-/m1/s1
InChIKeyVSGINNJXMWZNAX-CQSZACIVSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol with MolForge

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

Launch Full Analysis

Related Compounds

6-ethyl-2-methyl-N-[2-(oxan-4-yl)-1-phenylethyl]pyrimidin-4-amine
CID 133462480
2-[(6-methyl-2-pyridinyl)amino]-2-phenylethanol
CID 63183355
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
6-hydrazinyl-2-methyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80908283
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
2-[[6-(ethylamino)-2-pyridinyl]amino]-2-phenylethanol
CID 80827704
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 83077491
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225
(2R)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 135104502
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol (CID 133460882) is (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol is CCc1cc(N[C@H](CO)c2ccccc2)nc(C)n1.
What is the InChIKey of (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is VSGINNJXMWZNAX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13-9-15(17-11(2)16-13)18-14(10-19)12-7-5-4-6-8-12/h4-9,14,19H,3,10H2,1-2H3,(H,16,17,18)/t14-/m1/s1.
What are the key properties of (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol?
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 257.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 133460882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).