5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine

C12H21N5 — CID 80757172

IUPAC5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCN1CCN(c2ncnc(N)c2C)CC1
InChIInChI=1S/C12H21N5/c1-3-4-16-5-7-17(8-6-16)12-10(2)11(13)14-9-15-12/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyZRSIIUSFFITGLN-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.90
Rot. Bonds3

About 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine

5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80757172) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80757172
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCN1CCN(c2ncnc(N)c2C)CC1
InChIInChI=1S/C12H21N5/c1-3-4-16-5-7-17(8-6-16)12-10(2)11(13)14-9-15-12/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyZRSIIUSFFITGLN-UHFFFAOYSA-N
XLogP0.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine (CID 80757172) is 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine is CCCN1CCN(c2ncnc(N)c2C)CC1.
What is the InChIKey of 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ZRSIIUSFFITGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-4-16-5-7-17(8-6-16)12-10(2)11(13)14-9-15-12/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine?
5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80757172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).