2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

C14H25N5 — CID 114541833

IUPAC2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-9(2)14-16-12(15)6-13(17-14)19-7-10(3)18(5)11(4)8-19/h6,9-11H,7-8H2,1-5H3,(H2,15,16,17)
InChIKeyJQHVJLFKRRXYFA-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.71
Rot. Bonds2

About 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine

2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114541833) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114541833
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCC(C)c1nc(N)cc(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-9(2)14-16-12(15)6-13(17-14)19-7-10(3)18(5)11(4)8-19/h6,9-11H,7-8H2,1-5H3,(H2,15,16,17)
InChIKeyJQHVJLFKRRXYFA-UHFFFAOYSA-N
XLogP1.71
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 114541833) is 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is CC(C)c1nc(N)cc(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is JQHVJLFKRRXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-9(2)14-16-12(15)6-13(17-14)19-7-10(3)18(5)11(4)8-19/h6,9-11H,7-8H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114541833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).