2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

C28H30N6 — CID 108775197

IUPAC2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(Cc2c(C)nc(C)nc2N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C28H30N6/c1-20-9-11-23(12-10-20)17-25-21(2)31-22(3)32-28(25)34-15-13-33(14-16-34)27-18-26(29-19-30-27)24-7-5-4-6-8-24/h4-12,18-19H,13-17H2,1-3H3
InChIKeyHGTVPZKXABYZKM-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.78
Rot. Bonds5

About 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine

2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (PubChem CID 108775197) has the molecular formula C28H30N6 and a molecular weight of 450.59 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
PubChem CID108775197
Molecular FormulaC28H30N6
Molecular Weight450.59 g/mol
Exact Mass450.25
IUPAC Name2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
SMILESCc1ccc(Cc2c(C)nc(C)nc2N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C28H30N6/c1-20-9-11-23(12-10-20)17-25-21(2)31-22(3)32-28(25)34-15-13-33(14-16-34)27-18-26(29-19-30-27)24-7-5-4-6-8-24/h4-12,18-19H,13-17H2,1-3H3
InChIKeyHGTVPZKXABYZKM-UHFFFAOYSA-N
XLogP4.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine with MolForge

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Related Compounds

5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 108772905
[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 3546930
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
N-benzyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3609310
1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 4542156
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanamine
CID 82166143
(2R)-1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 93226245
2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-(4-octylsulfonylpiperazin-1-yl)pyrimidine
CID 5071054
1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 42774981
(4-chlorophenyl)-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 4112865
N-tert-butyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 3881174

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine (CID 108775197) is 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is Cc1ccc(Cc2c(C)nc(C)nc2N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1.
What is the InChIKey of 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
The InChIKey is HGTVPZKXABYZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6/c1-20-9-11-23(12-10-20)17-25-21(2)31-22(3)32-28(25)34-15-13-33(14-16-34)27-18-26(29-19-30-27)24-7-5-4-6-8-24/h4-12,18-19H,13-17H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine?
2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine has a molecular weight of 450.59 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(4-methylphenyl)methyl]-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 108775197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).