5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine

C27H28N6 — CID 108772905

IUPAC5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C27H28N6/c1-20-24(19-22-9-5-3-6-10-22)27(29-21(2)28-20)33-17-15-32(16-18-33)26-14-13-25(30-31-26)23-11-7-4-8-12-23/h3-14H,15-19H2,1-2H3
InChIKeyVOFWIGAZTLUWGW-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.47
Rot. Bonds5

About 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine

5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 108772905) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
PubChem CID108772905
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nc(C)c(Cc2ccccc2)c(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1
InChIInChI=1S/C27H28N6/c1-20-24(19-22-9-5-3-6-10-22)27(29-21(2)28-20)33-17-15-32(16-18-33)26-14-13-25(30-31-26)23-11-7-4-8-12-23/h3-14H,15-19H2,1-2H3
InChIKeyVOFWIGAZTLUWGW-UHFFFAOYSA-N
XLogP4.47
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 108775197
1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139028022
1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 42774981
N-benzyl-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazine-1-carboxamide
CID 4232627
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 1027241
(2S)-1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 93226202
4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
ethyl 2-methyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108772879
(2R)-1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
CID 93226210
(2R)-1-[4-[5-[(4-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 93226140
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 1027279

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine (CID 108772905) is 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine is Cc1nc(C)c(Cc2ccccc2)c(N2CCN(c3ccc(-c4ccccc4)nn3)CC2)n1.
What is the InChIKey of 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is VOFWIGAZTLUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-20-24(19-22-9-5-3-6-10-22)27(29-21(2)28-20)33-17-15-32(16-18-33)26-14-13-25(30-31-26)23-11-7-4-8-12-23/h3-14H,15-19H2,1-2H3.
What are the key properties of 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 436.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 108772905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).