4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine

C13H22N6 — CID 80848559

IUPAC4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC3CCC(C2)N3C)nc(N)n1
InChIInChI=1S/C13H22N6/c1-15-11-7-12(17-13(14)16-11)19-6-5-9-3-4-10(8-19)18(9)2/h7,9-10H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyARZZAYBQUXJVSN-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.77
Rot. Bonds2

About 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine

4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine (PubChem CID 80848559) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine
PubChem CID80848559
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCC3CCC(C2)N3C)nc(N)n1
InChIInChI=1S/C13H22N6/c1-15-11-7-12(17-13(14)16-11)19-6-5-9-3-4-10(8-19)18(9)2/h7,9-10H,3-6,8H2,1-2H3,(H3,14,15,16,17)
InChIKeyARZZAYBQUXJVSN-UHFFFAOYSA-N
XLogP0.77
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine (CID 80848559) is 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine is CNc1cc(N2CCC3CCC(C2)N3C)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is ARZZAYBQUXJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-15-11-7-12(17-13(14)16-11)19-6-5-9-3-4-10(8-19)18(9)2/h7,9-10H,3-6,8H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine?
4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80848559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).