4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

C20H25N7 — CID 171327083

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(CCc4ccccn4)CC3)ncn2)n1
InChIInChI=1S/C20H25N7/c1-16-13-17(2)27(24-16)20-14-19(22-15-23-20)26-11-9-25(10-12-26)8-6-18-5-3-4-7-21-18/h3-5,7,13-15H,6,8-12H2,1-2H3
InChIKeySXVSBBODKRPLGV-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.04
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (PubChem CID 171327083) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
PubChem CID171327083
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(CCc4ccccn4)CC3)ncn2)n1
InChIInChI=1S/C20H25N7/c1-16-13-17(2)27(24-16)20-14-19(22-15-23-20)26-11-9-25(10-12-26)8-6-18-5-3-4-7-21-18/h3-5,7,13-15H,6,8-12H2,1-2H3
InChIKeySXVSBBODKRPLGV-UHFFFAOYSA-N
XLogP2.04
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridazine
CID 171327082
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
CID 146074650
4-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 171334065
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121169015
6-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 53015129
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 33207768
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 121086767
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 121072489
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 50946256

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine (CID 171327083) is 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(CCc4ccccn4)CC3)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
The InChIKey is SXVSBBODKRPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-16-13-17(2)27(24-16)20-14-19(22-15-23-20)26-11-9-25(10-12-26)8-6-18-5-3-4-7-21-18/h3-5,7,13-15H,6,8-12H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171327083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).