2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol

C13H19N3O — CID 82243113

IUPAC2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
SMILESCN(CCO)c1ccccc1C1=NCCCN1
InChIInChI=1S/C13H19N3O/c1-16(9-10-17)12-6-3-2-5-11(12)13-14-7-4-8-15-13/h2-3,5-6,17H,4,7-10H2,1H3,(H,14,15)
InChIKeyZNASWTSGHVHQIB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.86
Rot. Bonds4

About 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol

2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol (PubChem CID 82243113) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
PubChem CID82243113
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol
SMILESCN(CCO)c1ccccc1C1=NCCCN1
InChIInChI=1S/C13H19N3O/c1-16(9-10-17)12-6-3-2-5-11(12)13-14-7-4-8-15-13/h2-3,5-6,17H,4,7-10H2,1H3,(H,14,15)
InChIKeyZNASWTSGHVHQIB-UHFFFAOYSA-N
XLogP0.86
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]sulfanyl]ethanol
CID 82243481
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-[2-[(3,5-dimethoxyphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744813
2-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 22744993
2-[2-(4-methylpiperazin-1-yl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82245730
4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
CID 82247068
1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 82241351
5-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenol
CID 137209925
2-[2-(cyclopentyloxymethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82245681
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
1-[2-hydroxyethyl(methyl)amino]anthracene-9,10-dione
CID 12804072
6-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]sulfanylmethyl]-3H-azepine
CID 143152937

Frequently Asked Questions

What is the IUPAC name of 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol?
The IUPAC name of 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol (CID 82243113) is 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol?
The canonical SMILES for 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol is CN(CCO)c1ccccc1C1=NCCCN1.
What is the InChIKey of 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol?
The InChIKey is ZNASWTSGHVHQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(9-10-17)12-6-3-2-5-11(12)13-14-7-4-8-15-13/h2-3,5-6,17H,4,7-10H2,1H3,(H,14,15).
What are the key properties of 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol?
2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol has a molecular weight of 233.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]ethanol is sourced from PubChem (CID 82243113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).