N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine

C20H17N5 — CID 45269578

IUPACN-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1
InChIInChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
InChIKeyGQEJUXJAPUMCSC-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.45
Rot. Bonds3

About N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine

N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine (PubChem CID 45269578) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine
PubChem CID45269578
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1
InChIInChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25)
InChIKeyGQEJUXJAPUMCSC-UHFFFAOYSA-N
XLogP4.45
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine (CID 45269578) is N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine is Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1.
What is the InChIKey of N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine?
The InChIKey is GQEJUXJAPUMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-13-6-5-9-18(22-13)20-24-17-8-4-3-7-16(17)19(25-20)23-15-10-11-21-14(2)12-15/h3-12H,1-2H3,(H,21,23,24,25).
What are the key properties of N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine?
N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 45269578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).