6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine

C7H12N4O — CID 82455314

IUPAC6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
SMILESCNc1nc(C)nc(OC)c1N
InChIInChI=1S/C7H12N4O/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11)
InChIKeyOVHAHDOIPSEGCH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.42
Rot. Bonds2

About 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine

6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine (PubChem CID 82455314) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
PubChem CID82455314
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine
SMILESCNc1nc(C)nc(OC)c1N
InChIInChI=1S/C7H12N4O/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11)
InChIKeyOVHAHDOIPSEGCH-UHFFFAOYSA-N
XLogP0.42
TPSA73.06 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 ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N,2-trimethylpyrimidine-4,5,6-triamine
CID 21059252
6-methoxy-4-N-methylpyrimidine-2,4,5-triamine
CID 89207307
4,6-dimethoxy-2-methylpyrimidin-5-amine
CID 21239200
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
(6-methoxy-2,5-dimethylpyrimidin-4-yl)hydrazine
CID 55280081
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455360
4-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-2-methylpyrimidine-4,5-diamine
CID 82455350
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
6-(3-methoxypyrazin-2-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 104516628
4-N-methyl-6-(methylperoxymethoxy)pyrimidine-2,4,5-triamine
CID 144603065
4-N-ethyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455505
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine (CID 82455314) is 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine is CNc1nc(C)nc(OC)c1N.
What is the InChIKey of 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine?
The InChIKey is OVHAHDOIPSEGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-10-6(9-2)5(8)7(11-4)12-3/h8H2,1-3H3,(H,9,10,11).
What are the key properties of 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine?
6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N,2-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).