2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol

C17H23N3O2 — CID 167813046

IUPAC2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol
SMILESCOc1ncncc1CN(CCO)c1cccc(C(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-13(2)14-5-4-6-16(9-14)20(7-8-21)11-15-10-18-12-19-17(15)22-3/h4-6,9-10,12-13,21H,7-8,11H2,1-3H3
InChIKeyYIYQBMRBIUYZRF-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.61
Rot. Bonds7

About 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol

2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol (PubChem CID 167813046) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol
PubChem CID167813046
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol
SMILESCOc1ncncc1CN(CCO)c1cccc(C(C)C)c1
InChIInChI=1S/C17H23N3O2/c1-13(2)14-5-4-6-16(9-14)20(7-8-21)11-15-10-18-12-19-17(15)22-3/h4-6,9-10,12-13,21H,7-8,11H2,1-3H3
InChIKeyYIYQBMRBIUYZRF-UHFFFAOYSA-N
XLogP2.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-[(E)-4-(5-methoxy-3-pyridinyl)but-3-enyl]-3-propan-2-ylanilino)ethanol
CID 167772319
2-[N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylanilino]ethanol
CID 166243021
2-[N-[(4-bromo-1H-indol-2-yl)methyl]-3-propan-2-ylanilino]ethanol
CID 166329406
2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 91344264
5-(hydroperoxymethyl)-4-methoxypyrimidine
CID 155649595
2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
3-fluoro-2-methoxy-5-(3-propan-2-ylphenyl)pyridine
CID 167219030
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
N-benzyl-N-methyl-3-propan-2-ylaniline
CID 178169457
2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
CID 142915207
2-(3-propan-2-ylanilino)ethanol
CID 28973580

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol (CID 167813046) is 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol is COc1ncncc1CN(CCO)c1cccc(C(C)C)c1.
What is the InChIKey of 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
The InChIKey is YIYQBMRBIUYZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13(2)14-5-4-6-16(9-14)20(7-8-21)11-15-10-18-12-19-17(15)22-3/h4-6,9-10,12-13,21H,7-8,11H2,1-3H3.
What are the key properties of 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol?
2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol has a molecular weight of 301.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(4-methoxypyrimidin-5-yl)methyl]-3-propan-2-ylanilino]ethanol is sourced from PubChem (CID 167813046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).