2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

C15H27N5 — CID 115415736

IUPAC2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(CC2CN(C)CCN2C)nc(C)c1C
InChIInChI=1S/C15H27N5/c1-6-16-15-11(2)12(3)17-14(18-15)9-13-10-19(4)7-8-20(13)5/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyHPIZCFNQZMITTG-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.31
Rot. Bonds4

About 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine

2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (PubChem CID 115415736) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
PubChem CID115415736
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine
SMILESCCNc1nc(CC2CN(C)CCN2C)nc(C)c1C
InChIInChI=1S/C15H27N5/c1-6-16-15-11(2)12(3)17-14(18-15)9-13-10-19(4)7-8-20(13)5/h13H,6-10H2,1-5H3,(H,16,17,18)
InChIKeyHPIZCFNQZMITTG-UHFFFAOYSA-N
XLogP1.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine (CID 115415736) is 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is CCNc1nc(CC2CN(C)CCN2C)nc(C)c1C.
What is the InChIKey of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
The InChIKey is HPIZCFNQZMITTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-16-15-11(2)12(3)17-14(18-15)9-13-10-19(4)7-8-20(13)5/h13H,6-10H2,1-5H3,(H,16,17,18).
What are the key properties of 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine?
2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine has a molecular weight of 277.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethyl-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 115415736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).