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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Related Compounds

7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
2-(3,3-dimethylpiperazin-1-yl)-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 167874144
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
1-(3,3-dimethylpiperazin-1-yl)-7-methoxyisoquinoline
CID 106536915
5-(4-methoxypyrimidin-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146078034
3-cyclopropyl-1-(4-methoxypyrimidin-2-yl)azetidin-3-ol
CID 75511384
methyl 4-(3,3-dimethylpiperazin-1-yl)pyrimidine-2-carboxylate
CID 82993874
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 71977837
1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350

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).