(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol

C16H18N4O — CID 163663204

IUPAC(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol
SMILESCc1ncnc2c(CN[C@H](CO)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H18N4O/c1-11-15-16(20-10-19-11)13(8-18-15)7-17-14(9-21)12-5-3-2-4-6-12/h2-6,8,10,14,17-18,21H,7,9H2,1H3/t14-/m1/s1
InChIKeyIWDNMWBVQYKECT-CQSZACIVSA-N
MW282.35 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol

(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol (PubChem CID 163663204) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol
PubChem CID163663204
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol
SMILESCc1ncnc2c(CN[C@H](CO)c3ccccc3)c[nH]c12
InChIInChI=1S/C16H18N4O/c1-11-15-16(20-10-19-11)13(8-18-15)7-17-14(9-21)12-5-3-2-4-6-12/h2-6,8,10,14,17-18,21H,7,9H2,1H3/t14-/m1/s1
InChIKeyIWDNMWBVQYKECT-CQSZACIVSA-N
XLogP2.09
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol with MolForge

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Related Compounds

(2S)-2-phenyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)ethanol
CID 107862127
2-(1H-imidazol-2-ylmethylamino)-2-phenylethanol
CID 63182355
(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-phenylethanol
CID 103851995
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(2S)-2-phenyl-2-[[2-(trifluoromethyl)phenyl]methylamino]ethanol
CID 103922964
2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]ethanol
CID 63182352
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
4-[[(2-hydroxy-1-phenylethyl)amino]methyl]-2,6-dimethylphenol
CID 63182162
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
2-phenyl-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 3744836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol (CID 163663204) is (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol is Cc1ncnc2c(CN[C@H](CO)c3ccccc3)c[nH]c12.
What is the InChIKey of (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol?
The InChIKey is IWDNMWBVQYKECT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-15-16(20-10-19-11)13(8-18-15)7-17-14(9-21)12-5-3-2-4-6-12/h2-6,8,10,14,17-18,21H,7,9H2,1H3/t14-/m1/s1.
What are the key properties of (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol?
(2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol has a molecular weight of 282.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]-2-phenylethanol is sourced from PubChem (CID 163663204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).