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

C15H27N5 — CID 80833885

IUPACN-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CCN(C)C(C)(C)C2)c1C
InChIInChI=1S/C15H27N5/c1-7-16-13-11(2)14(18-12(3)17-13)20-9-8-19(6)15(4,5)10-20/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyQQLIEDKUENIIEV-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.06
Rot. Bonds3

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

N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80833885) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80833885
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(N2CCN(C)C(C)(C)C2)c1C
InChIInChI=1S/C15H27N5/c1-7-16-13-11(2)14(18-12(3)17-13)20-9-8-19(6)15(4,5)10-20/h7-10H2,1-6H3,(H,16,17,18)
InChIKeyQQLIEDKUENIIEV-UHFFFAOYSA-N
XLogP2.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine (CID 80833885) is N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is CCNc1nc(C)nc(N2CCN(C)C(C)(C)C2)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is QQLIEDKUENIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-7-16-13-11(2)14(18-12(3)17-13)20-9-8-19(6)15(4,5)10-20/h7-10H2,1-6H3,(H,16,17,18).
What are the key properties of N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80833885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).