4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine

C20H24N6 — CID 146074650

IUPAC4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(Cc4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C20H24N6/c1-16-12-17(2)26(23-16)20-13-19(21-15-22-20)25-10-8-24(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeySRBFIQRURVPYST-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.60
Rot. Bonds4

About 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine

4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 146074650) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID146074650
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCc1cc(C)n(-c2cc(N3CCN(Cc4ccccc4)CC3)ncn2)n1
InChIInChI=1S/C20H24N6/c1-16-12-17(2)26(23-16)20-13-19(21-15-22-20)25-10-8-24(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3
InChIKeySRBFIQRURVPYST-UHFFFAOYSA-N
XLogP2.60
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 171327083
6-(4-benzylpiperazin-1-yl)-N,N-diethylpyrimidin-4-amine
CID 112862165
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)-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
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 121169015
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136
4-(3,5-dimethylpyrazol-1-yl)-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122337635
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-phenylazetidine-3-carboxamide
CID 121168993
4-(4-benzylpiperazin-1-yl)-6-(difluoromethyl)pyrimidine
CID 126850021

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine (CID 146074650) is 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(Cc4ccccc4)CC3)ncn2)n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is SRBFIQRURVPYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-16-12-17(2)26(23-16)20-13-19(21-15-22-20)25-10-8-24(9-11-25)14-18-6-4-3-5-7-18/h3-7,12-13,15H,8-11,14H2,1-2H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine?
4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 146074650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).