4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H22N4O — CID 114944633

IUPAC4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4O/c1-6-17-12(3,4)7-14-11-9(2)10(13-5)15-8-16-11/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyFLXVIXWRUZRSGN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.05
Rot. Bonds6

About 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 114944633) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID114944633
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCOC(C)(C)CNc1ncnc(NC)c1C
InChIInChI=1S/C12H22N4O/c1-6-17-12(3,4)7-14-11-9(2)10(13-5)15-8-16-11/h8H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyFLXVIXWRUZRSGN-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114944764
6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dipropylpyrimidine-4,6-diamine
CID 114944683
5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
CID 104767180
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 114944722
4-N-[3-(diethylamino)propyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777327
2-tert-butyl-N-(2-ethoxy-2-methylpropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 114944808
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
4-N-[2-[ethyl(methyl)amino]ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80833362

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 114944633) is 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine is CCOC(C)(C)CNc1ncnc(NC)c1C.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is FLXVIXWRUZRSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-17-12(3,4)7-14-11-9(2)10(13-5)15-8-16-11/h8H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 114944633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).