2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine

C12H20N4O — CID 112634968

IUPAC2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
SMILESCOc1cc(C)nc(N2CC(C)NCC2C)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(17-4)15-12(14-8)16-7-9(2)13-6-10(16)3/h5,9-10,13H,6-7H2,1-4H3
InChIKeyFIXRNQKVXAFEJU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.98
Rot. Bonds2

About 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine

2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine (PubChem CID 112634968) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
PubChem CID112634968
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
SMILESCOc1cc(C)nc(N2CC(C)NCC2C)n1
InChIInChI=1S/C12H20N4O/c1-8-5-11(17-4)15-12(14-8)16-7-9(2)13-6-10(16)3/h5,9-10,13H,6-7H2,1-4H3
InChIKeyFIXRNQKVXAFEJU-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

4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163
2-(2,5-diethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
CID 112634964
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
4,6-dimethoxy-2-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 96913861
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891
(3R,5S)-5-(4-fluorophenyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 129447051
4-methyl-2-(2-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 112635446
1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
2-(2,5-dimethylpiperazin-1-yl)-3-methylquinoxaline
CID 64980691
N-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperazine-2-carboxamide
CID 115973484
5-(4-ethoxy-6-methylpyrimidin-2-yl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 112635034
cis-(1S,2R)-2-[(2R)-1-(4-methoxy-6-methylpyrimidin-2-yl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 129491924

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine (CID 112634968) is 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine is COc1cc(C)nc(N2CC(C)NCC2C)n1.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine?
The InChIKey is FIXRNQKVXAFEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-5-11(17-4)15-12(14-8)16-7-9(2)13-6-10(16)3/h5,9-10,13H,6-7H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine?
2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-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 2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine is sourced from PubChem (CID 112634968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).