4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine

C32H26N8 — CID 58281695

IUPAC4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
SMILESCc1nc(-c2cnc(-c3cnc(-c4cnc(-c5ccccc5)nc4C)nc3C)nc2C)ncc1-c1ccccc1
InChIInChI=1S/C32H26N8/c1-19-25(23-11-7-5-8-12-23)15-34-30(38-19)27-17-36-32(40-21(27)3)28-18-35-31(39-22(28)4)26-16-33-29(37-20(26)2)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyVBRKEIWVKGZGEL-UHFFFAOYSA-N
MW522.62 g/mol
LogP6.42
Rot. Bonds5

About 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine

4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine (PubChem CID 58281695) has the molecular formula C32H26N8 and a molecular weight of 522.62 g/mol. Its IUPAC name is 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
PubChem CID58281695
Molecular FormulaC32H26N8
Molecular Weight522.62 g/mol
Exact Mass522.23
IUPAC Name4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
SMILESCc1nc(-c2cnc(-c3cnc(-c4cnc(-c5ccccc5)nc4C)nc3C)nc2C)ncc1-c1ccccc1
InChIInChI=1S/C32H26N8/c1-19-25(23-11-7-5-8-12-23)15-34-30(38-19)27-17-36-32(40-21(27)3)28-18-35-31(39-22(28)4)26-16-33-29(37-20(26)2)24-13-9-6-10-14-24/h5-18H,1-4H3
InChIKeyVBRKEIWVKGZGEL-UHFFFAOYSA-N
XLogP6.42
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.62
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The IUPAC name of 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine (CID 58281695) is 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine.
What is the SMILES notation for 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The canonical SMILES for 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine is Cc1nc(-c2cnc(-c3cnc(-c4cnc(-c5ccccc5)nc4C)nc3C)nc2C)ncc1-c1ccccc1.
What is the InChIKey of 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
The InChIKey is VBRKEIWVKGZGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N8/c1-19-25(23-11-7-5-8-12-23)15-34-30(38-19)27-17-36-32(40-21(27)3)28-18-35-31(39-22(28)4)26-16-33-29(37-20(26)2)24-13-9-6-10-14-24/h5-18H,1-4H3.
What are the key properties of 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine?
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine has a molecular weight of 522.62 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine is sourced from PubChem (CID 58281695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).