2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

C16H20ClN3O — CID 63727847

IUPAC2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCC(C)c1c(Cl)ncnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-12(2)14-15(17)18-11-19-16(14)20(8-9-21)10-13-6-4-3-5-7-13/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyGGKMVBGXZSORRP-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.25
Rot. Bonds6

About 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol

2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 63727847) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
PubChem CID63727847
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
SMILESCC(C)c1c(Cl)ncnc1N(CCO)Cc1ccccc1
InChIInChI=1S/C16H20ClN3O/c1-12(2)14-15(17)18-11-19-16(14)20(8-9-21)10-13-6-4-3-5-7-13/h3-7,11-12,21H,8-10H2,1-2H3
InChIKeyGGKMVBGXZSORRP-UHFFFAOYSA-N
XLogP3.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-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

2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
2-[benzyl-(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80908418
2-[benzyl(pyrido[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 110433912
3-[benzyl(2-hydroxyethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62929910
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-ethylamino]ethanol
CID 80791912
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
CID 107057524
N'-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 55231244
2-[(6-amino-3,5-dichloro-2-pyridinyl)-benzylamino]ethanol
CID 102757794
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 63728311
6-N,6-N-dibenzyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5,6-triamine
CID 19136343
6-chloro-N-methyl-5-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 63729773
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol (CID 63727847) is 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is CC(C)c1c(Cl)ncnc1N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is GGKMVBGXZSORRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12(2)14-15(17)18-11-19-16(14)20(8-9-21)10-13-6-4-3-5-7-13/h3-7,11-12,21H,8-10H2,1-2H3.
What are the key properties of 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol?
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 305.81 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 63727847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).