2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol

C11H20N4O2 — CID 80842162

IUPAC2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCNc1ncnc(NC(CO)CO)c1CC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12-4-2)13-7-14-11(9)15-8(5-16)6-17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDJIFCXZTJPPNKS-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.24
Rot. Bonds7

About 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol (PubChem CID 80842162) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
PubChem CID80842162
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
SMILESCCNc1ncnc(NC(CO)CO)c1CC
InChIInChI=1S/C11H20N4O2/c1-3-9-10(12-4-2)13-7-14-11(9)15-8(5-16)6-17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyDJIFCXZTJPPNKS-UHFFFAOYSA-N
XLogP0.24
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol with MolForge

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Related Compounds

6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
6-N,5-diethyl-4-N-hexan-3-ylpyrimidine-4,6-diamine
CID 80818386
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-N,5-diethylpyrimidine-4,6-diamine
CID 80782621
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80894376
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80907050
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114212305
3-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methylpropan-1-ol
CID 80891280
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
2-[(6-chloro-5-methylpyrimidin-4-yl)amino]propane-1,3-diol
CID 65313790

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol (CID 80842162) is 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol is CCNc1ncnc(NC(CO)CO)c1CC.
What is the InChIKey of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
The InChIKey is DJIFCXZTJPPNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-9-10(12-4-2)13-7-14-11(9)15-8(5-16)6-17/h7-8,16-17H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol?
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol has a molecular weight of 240.31 g/mol, XLogP of 0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 80842162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).