4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

C15H18N6 — CID 102051125

IUPAC4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCc1cc(C)n(-c2cc(-n3nc(C)cc3C)nc(C)n2)n1
InChIInChI=1S/C15H18N6/c1-9-6-11(3)20(18-9)14-8-15(17-13(5)16-14)21-12(4)7-10(2)19-21/h6-8H,1-5H3
InChIKeyQMFPLUHCFLLTIF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.39
Rot. Bonds2

About 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (PubChem CID 102051125) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
PubChem CID102051125
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCc1cc(C)n(-c2cc(-n3nc(C)cc3C)nc(C)n2)n1
InChIInChI=1S/C15H18N6/c1-9-6-11(3)20(18-9)14-8-15(17-13(5)16-14)21-12(4)7-10(2)19-21/h6-8H,1-5H3
InChIKeyQMFPLUHCFLLTIF-UHFFFAOYSA-N
XLogP2.39
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223
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-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 154853730
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine
CID 139300479
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
CID 171323834
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-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830060
6-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(E)-1-(2,3,4,5,6-pentafluorophenyl)ethylideneamino]pyrimidin-4-amine
CID 5332806
[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122338082
2-tert-butyl-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 80965254
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
CID 134397701
2-(3,5-dimethylpyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768027

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (CID 102051125) is 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is Cc1cc(C)n(-c2cc(-n3nc(C)cc3C)nc(C)n2)n1.
What is the InChIKey of 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The InChIKey is QMFPLUHCFLLTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-9-6-11(3)20(18-9)14-8-15(17-13(5)16-14)21-12(4)7-10(2)19-21/h6-8H,1-5H3.
What are the key properties of 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine has a molecular weight of 282.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 102051125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).