2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine

C11H18N4O — CID 82994740

IUPAC2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C11H18N4O/c1-11(2)8-15(7-6-13-11)10-12-5-4-9(14-10)16-3/h4-5,13H,6-8H2,1-3H3
InChIKeyXHRVWGLYYFGOOX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds2

About 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine

2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine (PubChem CID 82994740) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
PubChem CID82994740
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCNC(C)(C)C2)n1
InChIInChI=1S/C11H18N4O/c1-11(2)8-15(7-6-13-11)10-12-5-4-9(14-10)16-3/h4-5,13H,6-8H2,1-3H3
InChIKeyXHRVWGLYYFGOOX-UHFFFAOYSA-N
XLogP0.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine (CID 82994740) is 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine is COc1ccnc(N2CCNC(C)(C)C2)n1.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine?
The InChIKey is XHRVWGLYYFGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)8-15(7-6-13-11)10-12-5-4-9(14-10)16-3/h4-5,13H,6-8H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine?
2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine has a molecular weight of 222.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-4-methoxypyrimidine is sourced from PubChem (CID 82994740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).