6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine

C13H24N4 — CID 80657528

IUPAC6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(C)CCC)n1
InChIInChI=1S/C13H24N4/c1-5-7-14-12-9-11(3)15-13(16-12)10-17(4)8-6-2/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyGGZPYETUBXVVCI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.45
Rot. Bonds7

About 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine

6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine (PubChem CID 80657528) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
PubChem CID80657528
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(CN(C)CCC)n1
InChIInChI=1S/C13H24N4/c1-5-7-14-12-9-11(3)15-13(16-12)10-17(4)8-6-2/h9H,5-8,10H2,1-4H3,(H,14,15,16)
InChIKeyGGZPYETUBXVVCI-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine (CID 80657528) is 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(CN(C)CCC)n1.
What is the InChIKey of 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine?
The InChIKey is GGZPYETUBXVVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-7-14-12-9-11(3)15-13(16-12)10-17(4)8-6-2/h9H,5-8,10H2,1-4H3,(H,14,15,16).
What are the key properties of 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine?
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80657528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).