4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C14H18N6O — CID 4584167

IUPAC4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(C)nc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-9-13(21-2)18-14(17-11)20-7-5-19(6-8-20)12-10-15-3-4-16-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNWZSELRVTARHMR-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.91
Rot. Bonds3

About 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 4584167) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID4584167
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1cc(C)nc(N2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C14H18N6O/c1-11-9-13(21-2)18-14(17-11)20-7-5-19(6-8-20)12-10-15-3-4-16-12/h3-4,9-10H,5-8H2,1-2H3
InChIKeyNWZSELRVTARHMR-UHFFFAOYSA-N
XLogP0.91
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 154575579
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
CID 167935467
[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 167743168
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
2-[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 146132286
2-[4-(1-bromoethyl)piperidin-1-yl]-4-methoxy-6-methylpyrimidine
CID 106838651
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
N,2,6-trimethyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyridin-4-amine
CID 166304823
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
4-methoxy-6-methyl-2-[(3R)-3-methylpiperazin-1-yl]pyrimidine
CID 104976163

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 4584167) is 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is COc1cc(C)nc(N2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is NWZSELRVTARHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-9-13(21-2)18-14(17-11)20-7-5-19(6-8-20)12-10-15-3-4-16-12/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 4584167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).