4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

C18H22N8 — CID 154853730

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cnccn4)CC3)nc(C)n2)n1
InChIInChI=1S/C18H22N8/c1-13-10-14(2)26(23-13)17-11-16(21-15(3)22-17)24-6-8-25(9-7-24)18-12-19-4-5-20-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLKLJVCAEDMHAKS-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.70
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 154853730) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID154853730
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(c4cnccn4)CC3)nc(C)n2)n1
InChIInChI=1S/C18H22N8/c1-13-10-14(2)26(23-13)17-11-16(21-15(3)22-17)24-6-8-25(9-7-24)18-12-19-4-5-20-18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyLKLJVCAEDMHAKS-UHFFFAOYSA-N
XLogP1.70
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-4-(4-pyrazin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 154853788
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830060
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 165433739
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 155976481
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 171323834
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122338082
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 155976417
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122338134
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-1,2-oxazole
CID 122338151

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine (CID 154853730) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(c4cnccn4)CC3)nc(C)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is LKLJVCAEDMHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-13-10-14(2)26(23-13)17-11-16(21-15(3)22-17)24-6-8-25(9-7-24)18-12-19-4-5-20-18/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 350.43 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 154853730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).