4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine

C14H26N6 — CID 80825182

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H26N6/c1-12-11-13(17-14(15-2)16-12)20-9-7-19(8-10-20)6-5-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyXWQWZNRZMFYFTF-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.51
Rot. Bonds5

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 80825182) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
PubChem CID80825182
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H26N6/c1-12-11-13(17-14(15-2)16-12)20-9-7-19(8-10-20)6-5-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17)
InChIKeyXWQWZNRZMFYFTF-UHFFFAOYSA-N
XLogP0.51
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
4-chloro-6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methyl-1,3,5-triazin-2-amine
CID 80825081
N,4-dimethyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 80808792
N',N'-dimethyl-N-[4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112910679
4-[4-(methoxymethyl)piperidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80838759
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
1-[6-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674481
2-[4-[6-(aminomethyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 66451472
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
2-[4-[3-(aminomethyl)-2,6-dimethyl-4-pyridinyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 81049660
4-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 112913275
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine (CID 80825182) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is XWQWZNRZMFYFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-12-11-13(17-14(15-2)16-12)20-9-7-19(8-10-20)6-5-18(3)4/h11H,5-10H2,1-4H3,(H,15,16,17).
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80825182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).