6-ethoxy-2-methylpyrimidine-4,5-diamine

C7H12N4O — CID 82455416

IUPAC6-ethoxy-2-methylpyrimidine-4,5-diamine
SMILESCCOc1nc(C)nc(N)c1N
InChIInChI=1S/C7H12N4O/c1-3-12-7-5(8)6(9)10-4(2)11-7/h3,8H2,1-2H3,(H2,9,10,11)
InChIKeyCRJKFSWLBUTROU-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.35
Rot. Bonds2

About 6-ethoxy-2-methylpyrimidine-4,5-diamine

6-ethoxy-2-methylpyrimidine-4,5-diamine (PubChem CID 82455416) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-ethoxy-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-methylpyrimidine-4,5-diamine
PubChem CID82455416
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-ethoxy-2-methylpyrimidine-4,5-diamine
SMILESCCOc1nc(C)nc(N)c1N
InChIInChI=1S/C7H12N4O/c1-3-12-7-5(8)6(9)10-4(2)11-7/h3,8H2,1-2H3,(H2,9,10,11)
InChIKeyCRJKFSWLBUTROU-UHFFFAOYSA-N
XLogP0.35
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-6-methylpyrazin-2-amine
CID 154188354
2,6-dimethylpyrimidine-4,5-diamine
CID 19898795
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
3-ethoxypyrazin-2-amine
CID 13416935
7-ethoxy-5-methylthiadiazolo[5,4-d]pyrimidine
CID 4154842
6-ethoxy-2-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 82455409
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928
4-ethoxy-6-prop-2-enoxypyrimidine-2,5-diamine
CID 118167358
4-ethoxy-5-ethyl-6-methylpyrimidin-2-amine
CID 13300943
6-[2-(dimethylamino)-2-methylpropoxy]-2,5-dimethylpyrimidin-4-amine
CID 80877740
6-propoxy-2-propylpyrimidine-4,5-diamine
CID 82456103
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-2-methylpyrimidine-4,5-diamine (CID 82455416) is 6-ethoxy-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-2-methylpyrimidine-4,5-diamine is CCOc1nc(C)nc(N)c1N.
What is the InChIKey of 6-ethoxy-2-methylpyrimidine-4,5-diamine?
The InChIKey is CRJKFSWLBUTROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-12-7-5(8)6(9)10-4(2)11-7/h3,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 6-ethoxy-2-methylpyrimidine-4,5-diamine?
6-ethoxy-2-methylpyrimidine-4,5-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).