1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine

C15H27N5 — CID 79666386

IUPAC1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C2CN(C)CCN2C)n1
InChIInChI=1S/C15H27N5/c1-5-12(16)9-13-8-11(2)17-15(18-13)14-10-19(3)6-7-20(14)4/h8,12,14H,5-7,9-10,16H2,1-4H3
InChIKeyLAARONWQDVZFOT-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.98
Rot. Bonds4

About 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine

1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine (PubChem CID 79666386) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine
PubChem CID79666386
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine
SMILESCCC(N)Cc1cc(C)nc(C2CN(C)CCN2C)n1
InChIInChI=1S/C15H27N5/c1-5-12(16)9-13-8-11(2)17-15(18-13)14-10-19(3)6-7-20(14)4/h8,12,14H,5-7,9-10,16H2,1-4H3
InChIKeyLAARONWQDVZFOT-UHFFFAOYSA-N
XLogP0.98
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The IUPAC name of 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine (CID 79666386) is 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The canonical SMILES for 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine is CCC(N)Cc1cc(C)nc(C2CN(C)CCN2C)n1.
What is the InChIKey of 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
The InChIKey is LAARONWQDVZFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-12(16)9-13-8-11(2)17-15(18-13)14-10-19(3)6-7-20(14)4/h8,12,14H,5-7,9-10,16H2,1-4H3.
What are the key properties of 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine?
1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine has a molecular weight of 277.42 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethylpiperazin-2-yl)-6-methylpyrimidin-4-yl]butan-2-amine is sourced from PubChem (CID 79666386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).