4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine

C13H23N5 — CID 80832150

IUPAC4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC(C)N1CCN(c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C13H23N5/c1-4-11(3)17-5-7-18(8-6-17)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyDFSMOGKMNKNTEE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.29
Rot. Bonds3

About 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine

4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 80832150) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID80832150
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC(C)N1CCN(c2cc(C)nc(N)n2)CC1
InChIInChI=1S/C13H23N5/c1-4-11(3)17-5-7-18(8-6-17)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyDFSMOGKMNKNTEE-UHFFFAOYSA-N
XLogP1.29
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine (CID 80832150) is 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine is CCC(C)N1CCN(c2cc(C)nc(N)n2)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is DFSMOGKMNKNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-11(3)17-5-7-18(8-6-17)12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80832150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).