3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

C13H24N4O2 — CID 80851169

IUPAC3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCc1c(NCC)ncnc1NCC(C)(O)CO
InChIInChI=1S/C13H24N4O2/c1-4-6-10-11(14-5-2)16-9-17-12(10)15-7-13(3,19)8-18/h9,18-19H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyAOYGQQTVAKYSOY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.02
Rot. Bonds8

About 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol

3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (PubChem CID 80851169) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
PubChem CID80851169
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
SMILESCCCc1c(NCC)ncnc1NCC(C)(O)CO
InChIInChI=1S/C13H24N4O2/c1-4-6-10-11(14-5-2)16-9-17-12(10)15-7-13(3,19)8-18/h9,18-19H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyAOYGQQTVAKYSOY-UHFFFAOYSA-N
XLogP1.02
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-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

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80992471
1-[(6-amino-5-propylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150169
2-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779958
3-[(5-bromopyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 66341508
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-5-propylpyrimidin-4-amine
CID 80861209
3-[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311785
[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
[1-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80804152

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol (CID 80851169) is 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is CCCc1c(NCC)ncnc1NCC(C)(O)CO.
What is the InChIKey of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
The InChIKey is AOYGQQTVAKYSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-6-10-11(14-5-2)16-9-17-12(10)15-7-13(3,19)8-18/h9,18-19H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol?
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol has a molecular weight of 268.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 80851169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).