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

C7H12N4O — CID 10419563

IUPAC6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCOc1ncnc(N(C)C)c1N
InChIInChI=1S/C7H12N4O/c1-11(2)6-5(8)7(12-3)10-4-9-6/h4H,8H2,1-3H3
InChIKeyNWBQVGDVWUAKGE-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.13
Rot. Bonds2

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

6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine (PubChem CID 10419563) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
PubChem CID10419563
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine
SMILESCOc1ncnc(N(C)C)c1N
InChIInChI=1S/C7H12N4O/c1-11(2)6-5(8)7(12-3)10-4-9-6/h4H,8H2,1-3H3
InChIKeyNWBQVGDVWUAKGE-UHFFFAOYSA-N
XLogP0.13
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine (CID 10419563) is 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine is COc1ncnc(N(C)C)c1N.
What is the InChIKey of 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
The InChIKey is NWBQVGDVWUAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11(2)6-5(8)7(12-3)10-4-9-6/h4H,8H2,1-3H3.
What are the key properties of 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine?
6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine has a molecular weight of 168.20 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N,4-N-dimethylpyrimidine-4,5-diamine is sourced from PubChem (CID 10419563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).