2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol

C11H20N4O — CID 80771706

IUPAC2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
SMILESCCNc1ncnc(N(C)CCO)c1CC
InChIInChI=1S/C11H20N4O/c1-4-9-10(12-5-2)13-8-14-11(9)15(3)6-7-16/h8,16H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyRMRLYYWSGXQDDP-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.90
Rot. Bonds6

About 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol

2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol (PubChem CID 80771706) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
PubChem CID80771706
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol
SMILESCCNc1ncnc(N(C)CCO)c1CC
InChIInChI=1S/C11H20N4O/c1-4-9-10(12-5-2)13-8-14-11(9)15(3)6-7-16/h8,16H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyRMRLYYWSGXQDDP-UHFFFAOYSA-N
XLogP0.90
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]-methylamino]ethanol
CID 80771507
6-N,5-diethyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80850318
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406
N,N-diethyl-2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779733
1-[[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114954073
N'-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 80909904
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80834597
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N,5-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80799144
6-N,5-diethyl-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80799762
2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]-ethylamino]ethanol
CID 19135193
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 114072039
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol?
The IUPAC name of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol (CID 80771706) is 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol is CCNc1ncnc(N(C)CCO)c1CC.
What is the InChIKey of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol?
The InChIKey is RMRLYYWSGXQDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-10(12-5-2)13-8-14-11(9)15(3)6-7-16/h8,16H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol?
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol has a molecular weight of 224.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]ethanol is sourced from PubChem (CID 80771706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).