2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine

C14H18N6O — CID 155799860

IUPAC2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
SMILESCOc1cc(N2CCN(c3cncc(C)n3)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-11-8-15-9-13(18-11)20-5-3-19(4-6-20)12-7-14(21-2)17-10-16-12/h7-10H,3-6H2,1-2H3
InChIKeyYTGRHCPKEDQDGX-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.91
Rot. Bonds3

About 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine

2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine (PubChem CID 155799860) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine.

Molecular Properties

Compound Name2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
PubChem CID155799860
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
SMILESCOc1cc(N2CCN(c3cncc(C)n3)CC2)ncn1
InChIInChI=1S/C14H18N6O/c1-11-8-15-9-13(18-11)20-5-3-19(4-6-20)12-7-14(21-2)17-10-16-12/h7-10H,3-6H2,1-2H3
InChIKeyYTGRHCPKEDQDGX-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

2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171702056
2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
CID 166601576
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 171326447
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
CID 146079556
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 66318979
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine?
The IUPAC name of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine (CID 155799860) is 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine.
What is the SMILES notation for 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine?
The canonical SMILES for 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine is COc1cc(N2CCN(c3cncc(C)n3)CC2)ncn1.
What is the InChIKey of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine?
The InChIKey is YTGRHCPKEDQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-8-15-9-13(18-11)20-5-3-19(4-6-20)12-7-14(21-2)17-10-16-12/h7-10H,3-6H2,1-2H3.
What are the key properties of 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine?
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine 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 2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine is sourced from PubChem (CID 155799860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).