4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine

C12H20N4O — CID 66331134

IUPAC4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
SMILESCOc1ncnc(N2CC(C)NC(C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-5-16(6-9(2)15-8)11-10(3)12(17-4)14-7-13-11/h7-9,15H,5-6H2,1-4H3
InChIKeyRFJPCKVJYLGCKZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds2

About 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine

4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine (PubChem CID 66331134) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
PubChem CID66331134
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine
SMILESCOc1ncnc(N2CC(C)NC(C)C2)c1C
InChIInChI=1S/C12H20N4O/c1-8-5-16(6-9(2)15-8)11-10(3)12(17-4)14-7-13-11/h7-9,15H,5-6H2,1-4H3
InChIKeyRFJPCKVJYLGCKZ-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
1-(6-methoxy-5-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 66332559
1-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 66332963
2-(chloromethyl)-4-(6-methoxy-5-methylpyrimidin-4-yl)morpholine
CID 81210088
1-(6-methoxy-5-methylpyrimidin-4-yl)-3-propan-2-ylazetidin-3-amine
CID 66325325
2-[4-(6-methoxy-5-methylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 66331325
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66332132
4-hydroxy-1-(6-methoxy-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66333746
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66331952
1-(6-ethoxy-5-methylpyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 66325534
4-chloro-6-(3,4-dimethoxypyrrolidin-1-yl)-5-methylpyrimidine
CID 103536649

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine (CID 66331134) is 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine is COc1ncnc(N2CC(C)NC(C)C2)c1C.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
The InChIKey is RFJPCKVJYLGCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-16(6-9(2)15-8)11-10(3)12(17-4)14-7-13-11/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine?
4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine has a molecular weight of 236.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)-6-methoxy-5-methylpyrimidine is sourced from PubChem (CID 66331134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).