7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine

C26H22N6 — CID 57413824

IUPAC7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
SMILESCc1cc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)ncnc3c2)ccn1
InChIInChI=1S/C26H22N6/c1-17-11-21(7-9-27-17)20-4-5-23-25(13-20)31-16-32-26(23)30-15-19-3-6-24(29-14-19)22-8-10-28-18(2)12-22/h3-14,16H,15H2,1-2H3,(H,30,31,32)
InChIKeyRPHIMHWKZZFYDT-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.38
Rot. Bonds5

About 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine

7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 57413824) has the molecular formula C26H22N6 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
PubChem CID57413824
Molecular FormulaC26H22N6
Molecular Weight418.50 g/mol
Exact Mass418.19
IUPAC Name7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
SMILESCc1cc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)ncnc3c2)ccn1
InChIInChI=1S/C26H22N6/c1-17-11-21(7-9-27-17)20-4-5-23-25(13-20)31-16-32-26(23)30-15-19-3-6-24(29-14-19)22-8-10-28-18(2)12-22/h3-14,16H,15H2,1-2H3,(H,30,31,32)
InChIKeyRPHIMHWKZZFYDT-UHFFFAOYSA-N
XLogP5.38
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine (CID 57413824) is 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine is Cc1cc(-c2ccc3c(NCc4ccc(-c5ccnc(C)c5)nc4)ncnc3c2)ccn1.
What is the InChIKey of 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is RPHIMHWKZZFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6/c1-17-11-21(7-9-27-17)20-4-5-23-25(13-20)31-16-32-26(23)30-15-19-3-6-24(29-14-19)22-8-10-28-18(2)12-22/h3-14,16H,15H2,1-2H3,(H,30,31,32).
What are the key properties of 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine?
7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 57413824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).