2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol

C12H21N3O2 — CID 107866139

IUPAC2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCCc1cc(NC(CC)(CO)CO)ncn1
InChIInChI=1S/C12H21N3O2/c1-3-5-10-6-11(14-9-13-10)15-12(4-2,7-16)8-17/h6,9,16-17H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyLZGUHQUDDNCCJB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds7

About 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol

2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol (PubChem CID 107866139) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
PubChem CID107866139
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol
SMILESCCCc1cc(NC(CC)(CO)CO)ncn1
InChIInChI=1S/C12H21N3O2/c1-3-5-10-6-11(14-9-13-10)15-12(4-2,7-16)8-17/h6,9,16-17H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyLZGUHQUDDNCCJB-UHFFFAOYSA-N
XLogP0.97
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
2,3-dimethyl-3-[(6-propylpyrimidin-4-yl)amino]butan-2-ol
CID 114155486
2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
2-[(6-ethoxypyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 66328418
3,3-dimethyl-4-[(6-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106144540
2-[(4-amino-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864663
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
N-(2-methoxy-2-methylpropyl)-6-propylpyrimidin-4-amine
CID 104762532
1-[[(6-propylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 65110996
methyl 2-[(6-propylpyrimidin-4-yl)amino]acetate
CID 61240139
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol (CID 107866139) is 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol is CCCc1cc(NC(CC)(CO)CO)ncn1.
What is the InChIKey of 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol?
The InChIKey is LZGUHQUDDNCCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-5-10-6-11(14-9-13-10)15-12(4-2,7-16)8-17/h6,9,16-17H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol?
2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol has a molecular weight of 239.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(6-propylpyrimidin-4-yl)amino]propane-1,3-diol is sourced from PubChem (CID 107866139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).