[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine

C13H23N5 — CID 80506382

IUPAC[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCCCc1cc(N2CCN(C)CC2CN)ncn1
InChIInChI=1S/C13H23N5/c1-3-4-11-7-13(16-10-15-11)18-6-5-17(2)9-12(18)8-14/h7,10,12H,3-6,8-9,14H2,1-2H3
InChIKeyOLFZMYUASFRGCZ-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.51
Rot. Bonds4

About [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine

[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine (PubChem CID 80506382) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
PubChem CID80506382
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine
SMILESCCCc1cc(N2CCN(C)CC2CN)ncn1
InChIInChI=1S/C13H23N5/c1-3-4-11-7-13(16-10-15-11)18-6-5-17(2)9-12(18)8-14/h7,10,12H,3-6,8-9,14H2,1-2H3
InChIKeyOLFZMYUASFRGCZ-UHFFFAOYSA-N
XLogP0.51
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine (CID 80506382) is [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine is CCCc1cc(N2CCN(C)CC2CN)ncn1.
What is the InChIKey of [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine?
The InChIKey is OLFZMYUASFRGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-4-11-7-13(16-10-15-11)18-6-5-17(2)9-12(18)8-14/h7,10,12H,3-6,8-9,14H2,1-2H3.
What are the key properties of [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine?
[4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine has a molecular weight of 249.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(6-propylpyrimidin-4-yl)piperazin-2-yl]methanamine is sourced from PubChem (CID 80506382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).