6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

C12H20N4O — CID 80789183

IUPAC6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCOCC2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-9(2)12(15-8-14-11)16-10-4-6-17-7-5-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeySUYLLOUELPBZOF-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.81
Rot. Bonds4

About 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine

6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (PubChem CID 80789183) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
PubChem CID80789183
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2CCOCC2)c1C
InChIInChI=1S/C12H20N4O/c1-3-13-11-9(2)12(15-8-14-11)16-10-4-6-17-7-5-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16)
InChIKeySUYLLOUELPBZOF-UHFFFAOYSA-N
XLogP1.81
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine 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

6-N,2-diethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80994246
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856004
4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819298
4-N-cyclopentyl-6-N,5-diethylpyrimidine-4,6-diamine
CID 80770074
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
4-N-(1-cyclohexylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80827161
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80791299
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
4-N-(oxolan-3-yl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80853652

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine (CID 80789183) is 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is CCNc1ncnc(NC2CCOCC2)c1C.
What is the InChIKey of 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
The InChIKey is SUYLLOUELPBZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-13-11-9(2)12(15-8-14-11)16-10-4-6-17-7-5-10/h8,10H,3-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine?
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80789183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).