4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine

C7H13N5 — CID 15332934

IUPAC4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NC)c1NC
InChIInChI=1S/C7H13N5/c1-8-5-6(9-2)11-4-12-7(5)10-3/h4,8H,1-3H3,(H2,9,10,11,12)
InChIKeyXSEYRWLJMIORJH-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.60
Rot. Bonds3

About 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine

4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine (PubChem CID 15332934) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine
PubChem CID15332934
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NC)c1NC
InChIInChI=1S/C7H13N5/c1-8-5-6(9-2)11-4-12-7(5)10-3/h4,8H,1-3H3,(H2,9,10,11,12)
InChIKeyXSEYRWLJMIORJH-UHFFFAOYSA-N
XLogP0.60
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine (CID 15332934) is 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine is CNc1ncnc(NC)c1NC.
What is the InChIKey of 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine?
The InChIKey is XSEYRWLJMIORJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-8-5-6(9-2)11-4-12-7(5)10-3/h4,8H,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine?
4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine has a molecular weight of 167.22 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N,6-N-trimethylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 15332934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).