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

C7H13N5O — CID 45091307

IUPAC2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCOc1nc(N)c(N)c(N(C)C)n1
InChIInChI=1S/C7H13N5O/c1-12(2)6-4(8)5(9)10-7(11-6)13-3/h8H2,1-3H3,(H2,9,10,11)
InChIKeyJPBMJCLJYCRTKZ-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.28
Rot. Bonds2

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

2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (PubChem CID 45091307) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
PubChem CID45091307
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
SMILESCOc1nc(N)c(N)c(N(C)C)n1
InChIInChI=1S/C7H13N5O/c1-12(2)6-4(8)5(9)10-7(11-6)13-3/h8H2,1-3H3,(H2,9,10,11)
InChIKeyJPBMJCLJYCRTKZ-UHFFFAOYSA-N
XLogP-0.28
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine (CID 45091307) is 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is COc1nc(N)c(N)c(N(C)C)n1.
What is the InChIKey of 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
The InChIKey is JPBMJCLJYCRTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12(2)6-4(8)5(9)10-7(11-6)13-3/h8H2,1-3H3,(H2,9,10,11).
What are the key properties of 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine?
2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine has a molecular weight of 183.22 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N,4-N-dimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 45091307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).