4-N,6-N,2-trimethylpyrimidine-4,6-diamine

C7H12N4 — CID 80769588

IUPAC4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC)nc(C)n1
InChIInChI=1S/C7H12N4/c1-5-10-6(8-2)4-7(9-3)11-5/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyKIYXYVGDSZBDIX-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.87
Rot. Bonds2

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

4-N,6-N,2-trimethylpyrimidine-4,6-diamine (PubChem CID 80769588) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-N,6-N,2-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,2-trimethylpyrimidine-4,6-diamine
PubChem CID80769588
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name4-N,6-N,2-trimethylpyrimidine-4,6-diamine
SMILESCNc1cc(NC)nc(C)n1
InChIInChI=1S/C7H12N4/c1-5-10-6(8-2)4-7(9-3)11-5/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyKIYXYVGDSZBDIX-UHFFFAOYSA-N
XLogP0.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,2-trimethylpyrimidine-4,6-diamine (CID 80769588) is 4-N,6-N,2-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,2-trimethylpyrimidine-4,6-diamine is CNc1cc(NC)nc(C)n1.
What is the InChIKey of 4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
The InChIKey is KIYXYVGDSZBDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-10-6(8-2)4-7(9-3)11-5/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-N,6-N,2-trimethylpyrimidine-4,6-diamine?
4-N,6-N,2-trimethylpyrimidine-4,6-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,2-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).