4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine

C7H13N5 — CID 79006691

IUPAC4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)C)nc(N)n1
InChIInChI=1S/C7H13N5/c1-9-5-4-6(12(2)3)11-7(8)10-5/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyBZNCVTVRCUWEKN-UHFFFAOYSA-N
MW167.22 g/mol
LogP0.17
Rot. Bonds2

About 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine

4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine (PubChem CID 79006691) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
PubChem CID79006691
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC Name4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)C)nc(N)n1
InChIInChI=1S/C7H13N5/c1-9-5-4-6(12(2)3)11-7(8)10-5/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyBZNCVTVRCUWEKN-UHFFFAOYSA-N
XLogP0.17
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine (CID 79006691) is 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine is CNc1cc(N(C)C)nc(N)n1.
What is the InChIKey of 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine?
The InChIKey is BZNCVTVRCUWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-9-5-4-6(12(2)3)11-7(8)10-5/h4H,1-3H3,(H3,8,9,10,11).
What are the key properties of 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine?
4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine has a molecular weight of 167.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N-trimethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 79006691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).