2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine

C17H20N8 — CID 166601576

IUPAC2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
SMILESCc1cncc(N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)n1
InChIInChI=1S/C17H20N8/c1-13-3-4-25(22-13)16-9-15(19-12-20-16)23-5-7-24(8-6-23)17-11-18-10-14(2)21-17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyABWRWLUVEKXIIY-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.40
Rot. Bonds3

About 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine

2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine (PubChem CID 166601576) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
PubChem CID166601576
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine
SMILESCc1cncc(N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)n1
InChIInChI=1S/C17H20N8/c1-13-3-4-25(22-13)16-9-15(19-12-20-16)23-5-7-24(8-6-23)17-11-18-10-14(2)21-17/h3-4,9-12H,5-8H2,1-2H3
InChIKeyABWRWLUVEKXIIY-UHFFFAOYSA-N
XLogP1.40
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 165433622
4-(3-methylpyrazol-1-yl)-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 166601638
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166601791
(6-ethoxy-3-pyridinyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344873
3-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 165434251
4-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyrimidine
CID 166605541
2-methyl-4-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334859
1-benzothiophen-2-yl-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344823
(3-bromophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344973
2-methyl-5-[[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 171997908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine (CID 166601576) is 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine is Cc1cncc(N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)n1.
What is the InChIKey of 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine?
The InChIKey is ABWRWLUVEKXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-13-3-4-25(22-13)16-9-15(19-12-20-16)23-5-7-24(8-6-23)17-11-18-10-14(2)21-17/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine?
2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine has a molecular weight of 336.40 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 166601576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).