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

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

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Launch Full Analysis

Related Compounds

N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine
CID 57414224
7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine
CID 57415380
N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
CID 57413686
6-(3-methylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine
CID 118043574
N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
CID 57415123
N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-pyrazin-2-ylisoquinolin-1-amine
CID 71617872
6-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340173
N-[[6-(2-iodo-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 130368685
2-(2-methyl-4-pyridinyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-1,6-naphthyridin-5-amine
CID 174650686
6-[3-ethenyl-4-(methylideneamino)phenyl]-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 145293583
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
6-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-5-fluoro-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 129033128

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).