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

C14H25N5 — CID 114541811

IUPAC2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-6-12-16-13(15)11(4)14(17-12)19-7-9(2)18(5)10(3)8-19/h9-10H,6-8H2,1-5H3,(H2,15,16,17)
InChIKeyVJTFRUXBMHUPFD-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.46
Rot. Bonds2

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

2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 114541811) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID114541811
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1
InChIInChI=1S/C14H25N5/c1-6-12-16-13(15)11(4)14(17-12)19-7-9(2)18(5)10(3)8-19/h9-10H,6-8H2,1-5H3,(H2,15,16,17)
InChIKeyVJTFRUXBMHUPFD-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 114541811) is 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCc1nc(N)c(C)c(N2CC(C)N(C)C(C)C2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is VJTFRUXBMHUPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-6-12-16-13(15)11(4)14(17-12)19-7-9(2)18(5)10(3)8-19/h9-10H,6-8H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 114541811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).