2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

C9H14ClN3O2 — CID 107866444

IUPAC2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O2/c1-2-9(4-14,5-15)13-8-3-7(10)11-6-12-8/h3,6,14-15H,2,4-5H2,1H3,(H,11,12,13)
InChIKeyGCYMEEKWPHQMPA-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.68
Rot. Bonds5

About 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107866444) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107866444
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C9H14ClN3O2/c1-2-9(4-14,5-15)13-8-3-7(10)11-6-12-8/h3,6,14-15H,2,4-5H2,1H3,(H,11,12,13)
InChIKeyGCYMEEKWPHQMPA-UHFFFAOYSA-N
XLogP0.68
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol 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-[(6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550559
2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 66328418
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866139
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
CID 130913826
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
3-[(6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66171465
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866488
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
methyl 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carboxylate
CID 114075125
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (CID 107866444) is 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1cc(Cl)ncn1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is GCYMEEKWPHQMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-2-9(4-14,5-15)13-8-3-7(10)11-6-12-8/h3,6,14-15H,2,4-5H2,1H3,(H,11,12,13).
What are the key properties of 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 231.68 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107866444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).