5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine

C12H22N4O — CID 104767180

IUPAC5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCC(C)(C)OC
InChIInChI=1S/C12H22N4O/c1-6-9-10(13-4)15-8-16-11(9)14-7-12(2,3)17-5/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyQGSNBNPYTCFAKQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds6

About 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 104767180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID104767180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCC(C)(C)OC
InChIInChI=1S/C12H22N4O/c1-6-9-10(13-4)15-8-16-11(9)14-7-12(2,3)17-5/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyQGSNBNPYTCFAKQ-UHFFFAOYSA-N
XLogP1.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-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

1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944633
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80771977
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
5-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760040
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
N-(2-methoxy-2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 115658497
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine (CID 104767180) is 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCC(C)(C)OC.
What is the InChIKey of 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QGSNBNPYTCFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-9-10(13-4)15-8-16-11(9)14-7-12(2,3)17-5/h8H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 104767180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).