6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C16H29N5 — CID 80985404

IUPAC6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCN(C(C)CC)CC2)n1
InChIInChI=1S/C16H29N5/c1-6-12(3)20-8-10-21(11-9-20)16-13(4)15(17-5)18-14(7-2)19-16/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyLHFJDVVYKOAKMF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds5

About 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80985404) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80985404
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCN(C(C)CC)CC2)n1
InChIInChI=1S/C16H29N5/c1-6-12(3)20-8-10-21(11-9-20)16-13(4)15(17-5)18-14(7-2)19-16/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyLHFJDVVYKOAKMF-UHFFFAOYSA-N
XLogP2.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80985404) is 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(N2CCN(C(C)CC)CC2)n1.
What is the InChIKey of 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is LHFJDVVYKOAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-6-12(3)20-8-10-21(11-9-20)16-13(4)15(17-5)18-14(7-2)19-16/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80985404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).