(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol

C13H18ClN3O — CID 122095980

IUPAC(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
SMILESCN1CCCN=C1NC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-17-7-3-6-15-13(17)16-9-12(18)10-4-2-5-11(14)8-10/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLSGNYFFYZXHNHP-GFCCVEGCSA-N
MW267.76 g/mol
LogP1.65
Rot. Bonds3

About (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol

(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol (PubChem CID 122095980) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
PubChem CID122095980
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
SMILESCN1CCCN=C1NC[C@@H](O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClN3O/c1-17-7-3-6-15-13(17)16-9-12(18)10-4-2-5-11(14)8-10/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLSGNYFFYZXHNHP-GFCCVEGCSA-N
XLogP1.65
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol 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

4-[1-hydroxy-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl]benzene-1,2-diol
CID 171986525
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096075
(1S)-1-(3-chlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 92764459
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22074625
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol?
The IUPAC name of (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol (CID 122095980) is (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol is CN1CCCN=C1NC[C@@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol?
The InChIKey is LSGNYFFYZXHNHP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17-7-3-6-15-13(17)16-9-12(18)10-4-2-5-11(14)8-10/h2,4-5,8,12,18H,3,6-7,9H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol?
(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol has a molecular weight of 267.76 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 122095980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).