4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine

C18H17N3 — CID 19780240

IUPAC4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(Cc3ccccc3C)n2)n1
InChIInChI=1S/C18H17N3/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(21-16)18-19-11-10-14(2)20-18/h3-11H,12H2,1-2H3
InChIKeyFDAFXICNRDSABU-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.75
Rot. Bonds3

About 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine

4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine (PubChem CID 19780240) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
PubChem CID19780240
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine
SMILESCc1ccnc(-c2cccc(Cc3ccccc3C)n2)n1
InChIInChI=1S/C18H17N3/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(21-16)18-19-11-10-14(2)20-18/h3-11H,12H2,1-2H3
InChIKeyFDAFXICNRDSABU-UHFFFAOYSA-N
XLogP3.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine (CID 19780240) is 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine is Cc1ccnc(-c2cccc(Cc3ccccc3C)n2)n1.
What is the InChIKey of 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine?
The InChIKey is FDAFXICNRDSABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-13-6-3-4-7-15(13)12-16-8-5-9-17(21-16)18-19-11-10-14(2)20-18/h3-11H,12H2,1-2H3.
What are the key properties of 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine?
4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine has a molecular weight of 275.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 19780240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).